cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol

C83H127N3O11 — CID 162075014

About cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol

cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 162075014) has the molecular formula C83H127N3O11 and a molecular weight of 1342.94 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol
• PubChem CID: 162075014
• Molecular Formula: C83H127N3O11
• Molecular Weight: 1342.94 g/mol
• Exact Mass: 1341.95
• IUPAC Name: cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol
• SMILES: CCC[C@@H](O)c1cccc(OC[C@@H]2CCC[C@@H](O)C2)c1.CCC[C@@H](O)c1cccc(OC[C@@H]2CCC[C@H](O)C2)c1.CCC[C@@H](O)c1cccc(OC[C@H]2CCC[C@@H](O)C2)c1.NCCNc1cccc(OCC2CCCCC2)c1.[H]/N=C(\CCC)c1cccc(OCC2CCCCC2)c1
• InChI: InChI=1S/C17H25NO.3C17H26O3.C15H24N2O/c1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;3*1-2-5-17(19)14-7-4-9-16(11-14)20-12-13-6-3-8-15(18)10-13;16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h6,10-12,14,18H,2-5,7-9,13H2,1H3;3*4,7,9,11,13,15,17-19H,2-3,5-6,8,10,12H2,1H3;4,7-8,11,13,17H,1-3,5-6,9-10,12,16H2/b18-17+;;;;/t;13-,15+,17+;13-,15+,17-;13-,15-,17-;/m.011./s1
• InChIKey: ZBPBBLXGQJJZRX-XLNCMMMESA-N
• XLogP: 18.18
• TPSA: 229.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1342.94
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol?

The IUPAC name of cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol (CID 162075014) is cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol.

What is the SMILES notation for cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol?

The canonical SMILES for cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol is CCC[C@@H](O)c1cccc(OC[C@@H]2CCC[C@@H](O)C2)c1.CCC[C@@H](O)c1cccc(OC[C@@H]2CCC[C@H](O)C2)c1.CCC[C@@H](O)c1cccc(OC[C@H]2CCC[C@@H](O)C2)c1.NCCNc1cccc(OCC2CCCCC2)c1.[H]/N=C(\CCC)c1cccc(OCC2CCCCC2)c1.

What is the InChIKey of cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol?

The InChIKey is ZBPBBLXGQJJZRX-XLNCMMMESA-N. The full InChI is InChI=1S/C17H25NO.3C17H26O3.C15H24N2O/c1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;3*1-2-5-17(19)14-7-4-9-16(11-14)20-12-13-6-3-8-15(18)10-13;16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h6,10-12,14,18H,2-5,7-9,13H2,1H3;3*4,7,9,11,13,15,17-19H,2-3,5-6,8,10,12H2,1H3;4,7-8,11,13,17H,1-3,5-6,9-10,12,16H2/b18-17+;;;;/t;13-,15+,17+;13-,15+,17-;13-,15-,17-;/m.011./s1.

What are the key properties of cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol?

cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 1342.94 g/mol, XLogP of 18.18, 30 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;cis-(1S,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol;1-[3-(cyclohexylmethoxy)phenyl]butan-1-imine;N'-[3-(cyclohexylmethoxy)phenyl]ethane-1,2-diamine;trans-(1R,3R)-3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 162075014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).