1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol

C167H248BrFN4O18S — CID 162045720

About 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol

1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol (PubChem CID 162045720) has the molecular formula C167H248BrFN4O18S and a molecular weight of 2730.80 g/mol. Its IUPAC name is 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol
• PubChem CID: 162045720
• Molecular Formula: C167H248BrFN4O18S
• Molecular Weight: 2730.80 g/mol
• Exact Mass: 2727.75
• IUPAC Name: 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol
• SMILES: CCCC(=NN)c1cccc(OCC2CCCCC2)c1.CCCC(O)c1cc(OCC2CCCCC2)ccc1Br.CCCC(O)c1cccc(OCC2CCCCO2)c1.CCCCc1cc(F)cc(OCC2CCCCC2)c1.CCCCc1cccc(OCC2(O)CCCCCCC2)c1.CCCCc1cccc(OCC2CCCCO2)c1.CCCCc1cccc(OC[C@@H]2CCCC[C@H]2O)c1.CCCCc1cccc(OC[C@H]2CCCC[C@H]2O)c1.CCCCc1cccc(OCc2nccs2)c1.[H]/N=C(\C)CC(O)c1cccc(OCC2CCCCC2)c1
• InChI: InChI=1S/C19H30O2.C17H25BrO2.C17H25FO.C17H26N2O.C17H25NO2.2C17H26O2.C16H24O3.C16H24O2.C14H17NOS/c1-2-3-10-17-11-9-12-18(15-17)21-16-19(20)13-7-5-4-6-8-14-19;1-2-6-17(19)15-11-14(9-10-16(15)18)20-12-13-7-4-3-5-8-13;1-2-3-7-15-10-16(18)12-17(11-15)19-13-14-8-5-4-6-9-14;1-2-7-17(19-18)15-10-6-11-16(12-15)20-13-14-8-4-3-5-9-14;1-13(18)10-17(19)15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14;2*1-2-3-7-14-8-6-10-16(12-14)19-13-15-9-4-5-11-17(15)18;1-2-6-16(17)13-7-5-9-14(11-13)19-12-15-8-3-4-10-18-15;1-2-3-7-14-8-6-10-15(12-14)18-13-16-9-4-5-11-17-16;1-2-3-5-12-6-4-7-13(10-12)16-11-14-15-8-9-17-14/h9,11-12,15,20H,2-8,10,13-14,16H2,1H3;9-11,13,17,19H,2-8,12H2,1H3;10-12,14H,2-9,13H2,1H3;6,10-12,14H,2-5,7-9,13,18H2,1H3;5,8-9,11,14,17-19H,2-4,6-7,10,12H2,1H3;2*6,8,10,12,15,17-18H,2-5,7,9,11,13H2,1H3;5,7,9,11,15-17H,2-4,6,8,10,12H2,1H3;6,8,10,12,16H,2-5,7,9,11,13H2,1H3;4,6-10H,2-3,5,11H2,1H3/b;;;;18-13+;;;;;/t;;;;;15-,17+;15-,17-;;;/m.....01.../s1
• InChIKey: YXVYGRDGVRDBJR-IKHPQARWSA-N
• XLogP: 42.90
• TPSA: 307.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 60
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2730.80
LogP ≤ 5	42.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol?

The IUPAC name of 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol (CID 162045720) is 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol.

What is the SMILES notation for 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol?

The canonical SMILES for 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol is CCCC(=NN)c1cccc(OCC2CCCCC2)c1.CCCC(O)c1cc(OCC2CCCCC2)ccc1Br.CCCC(O)c1cccc(OCC2CCCCO2)c1.CCCCc1cc(F)cc(OCC2CCCCC2)c1.CCCCc1cccc(OCC2(O)CCCCCCC2)c1.CCCCc1cccc(OCC2CCCCO2)c1.CCCCc1cccc(OC[C@@H]2CCCC[C@H]2O)c1.CCCCc1cccc(OC[C@H]2CCCC[C@H]2O)c1.CCCCc1cccc(OCc2nccs2)c1.[H]/N=C(\C)CC(O)c1cccc(OCC2CCCCC2)c1.

What is the InChIKey of 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol?

The InChIKey is YXVYGRDGVRDBJR-IKHPQARWSA-N. The full InChI is InChI=1S/C19H30O2.C17H25BrO2.C17H25FO.C17H26N2O.C17H25NO2.2C17H26O2.C16H24O3.C16H24O2.C14H17NOS/c1-2-3-10-17-11-9-12-18(15-17)21-16-19(20)13-7-5-4-6-8-14-19;1-2-6-17(19)15-11-14(9-10-16(15)18)20-12-13-7-4-3-5-8-13;1-2-3-7-15-10-16(18)12-17(11-15)19-13-14-8-5-4-6-9-14;1-2-7-17(19-18)15-10-6-11-16(12-15)20-13-14-8-4-3-5-9-14;1-13(18)10-17(19)15-8-5-9-16(11-15)20-12-14-6-3-2-4-7-14;2*1-2-3-7-14-8-6-10-16(12-14)19-13-15-9-4-5-11-17(15)18;1-2-6-16(17)13-7-5-9-14(11-13)19-12-15-8-3-4-10-18-15;1-2-3-7-14-8-6-10-15(12-14)18-13-16-9-4-5-11-17-16;1-2-3-5-12-6-4-7-13(10-12)16-11-14-15-8-9-17-14/h9,11-12,15,20H,2-8,10,13-14,16H2,1H3;9-11,13,17,19H,2-8,12H2,1H3;10-12,14H,2-9,13H2,1H3;6,10-12,14H,2-5,7-9,13,18H2,1H3;5,8-9,11,14,17-19H,2-4,6-7,10,12H2,1H3;2*6,8,10,12,15,17-18H,2-5,7,9,11,13H2,1H3;5,7,9,11,15-17H,2-4,6,8,10,12H2,1H3;6,8,10,12,16H,2-5,7,9,11,13H2,1H3;4,6-10H,2-3,5,11H2,1H3/b;;;;18-13+;;;;;/t;;;;;15-,17+;15-,17-;;;/m.....01.../s1.

What are the key properties of 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol?

1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol has a molecular weight of 2730.80 g/mol, XLogP of 42.90, 60 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;2-[(3-butylphenoxy)methyl]-1,3-thiazole;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butylidenehydrazine;1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol;1-[3-(oxan-2-ylmethoxy)phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 162045720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).