1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol

C138H208BrF3O15 — CID 160542453

About 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol (PubChem CID 160542453) has the molecular formula C138H208BrF3O15 and a molecular weight of 2244.06 g/mol. Its IUPAC name is 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol
• PubChem CID: 160542453
• Molecular Formula: C138H208BrF3O15
• Molecular Weight: 2244.06 g/mol
• Exact Mass: 2241.46
• IUPAC Name: 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol
• SMILES: CCCC(O)c1cc(OCC2CCCCC2)ccc1Br.CCCC(O)c1cccc(OCC2CCC(F)(F)CC2)c1.CCCCc1cc(CO)cc(OCC2CCCCC2)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
• InChI: InChI=1S/C19H30O2.C18H28O2.C17H25BrO2.C17H24F2O2.C17H25FO.2C17H26O2.C16H24O2/c1-2-3-10-17-11-9-12-18(15-17)21-16-19(20)13-7-5-4-6-8-14-19;1-2-3-7-16-10-17(13-19)12-18(11-16)20-14-15-8-5-4-6-9-15;1-2-6-17(19)15-11-14(9-10-16(15)18)20-12-13-7-4-3-5-8-13;1-2-4-16(20)14-5-3-6-15(11-14)21-12-13-7-9-17(18,19)10-8-13;1-2-3-7-15-10-16(18)12-17(11-15)19-13-14-8-5-4-6-9-14;2*1-2-3-7-14-8-6-10-16(12-14)19-13-15-9-4-5-11-17(15)18;1-2-3-7-14-8-6-10-15(12-14)18-13-16-9-4-5-11-17-16/h9,11-12,15,20H,2-8,10,13-14,16H2,1H3;10-12,15,19H,2-9,13-14H2,1H3;9-11,13,17,19H,2-8,12H2,1H3;3,5-6,11,13,16,20H,2,4,7-10,12H2,1H3;10-12,14H,2-9,13H2,1H3;2*6,8,10,12,15,17-18H,2-5,7,9,11,13H2,1H3;6,8,10,12,16H,2-5,7,9,11,13H2,1H3/t;;;;;15-,17+;15-,17-;/m.....01./s1
• InChIKey: QWYUUCTVHFWGSN-XBBHFROCSA-N
• XLogP: 36.35
• TPSA: 204.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 49
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.06
LogP ≤ 5	36.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol (CID 160542453) is 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol is CCCC(O)c1cc(OCC2CCCCC2)ccc1Br.CCCC(O)c1cccc(OCC2CCC(F)(F)CC2)c1.CCCCc1cc(CO)cc(OCC2CCCCC2)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.

What is the InChIKey of 1-[2-bromo-5-(cyclohexylmethoxy)phenyl]butan-1-ol;1-butyl-3-(cyclohexylmethoxy)-5-fluorobenzene;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol?

The InChIKey is QWYUUCTVHFWGSN-XBBHFROCSA-N. The full InChI is InChI=1S/C19H30O2.C18H28O2.C17H25BrO2.C17H24F2O2.C17H25FO.2C17H26O2.C16H24O2/c1-2-3-10-17-11-9-12-18(15-17)21-16-19(20)13-7-5-4-6-8-14-19;1-2-3-7-16-10-17(13-19)12-18(11-16)20-14-15-8-5-4-6-9-15;1-2-6-17(19)15-11-14(9-10-16(15)18)20-12-13-7-4-3-5-8-13;1-2-4-16(20)14-5-3-6-15(11-14)21-12-13-7-9-17(18,19)10-8-13;1-2-3-7-15-10-16(18)12-17(11-15)19-13-14-8-5-4-6-9-14;2*1-2-3-7-14-8-6-10-16(12-14)19-13-15-9-4-5-11-17(15)18;1-2-3-7-14-8-6-10-15(12-14)18-13-16-9-4-5-11-17-16/h9,11-12,15,20H,2-8,10,13-14,16H2,1H3;10-12,15,19H,2-9,13-14H2,1H3;9-11,13,17,19H,2-8,12H2,1H3;3,5-6,11,13,16,20H,2,4,7-10,12H2,1H3;10-12,14H,2-9,13H2,1H3;2*6,8,10,12,15,17-18H,2-5,7,9,11,13H2,1H3;6,8,10,12,16H,2-5,7,9,11,13H2,1H3/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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol has a molecular weight of 2244.06 g/mol, XLogP of 36.35, 49 rotatable bonds, 6 hydrogen bond donors, and 15 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;[3-butyl-5-(cyclohexylmethoxy)phenyl]methanol;1-[(3-butylphenoxy)methyl]cyclooctan-1-ol;2-[(3-butylphenoxy)methyl]oxane;cis-(1R,2S)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol;1-[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]butan-1-ol;trans-(1R,2R)-2-[(3-butylphenoxy)methyl]cyclohexan-1-ol is sourced from PubChem (CID 160542453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).