3-cyclohexyl-6-phenylhex-1-ene-3,4-diol

C18H26O2 — CID 85416610

IUPAC3-cyclohexyl-6-phenylhex-1-ene-3,4-diol
SMILESC=CC(O)(C(O)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-2-18(20,16-11-7-4-8-12-16)17(19)14-13-15-9-5-3-6-10-15/h2-3,5-6,9-10,16-17,19-20H,1,4,7-8,11-14H2
InChIKeyUSVYAIMGKWPHOG-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.48
Rot. Bonds6

About 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol

3-cyclohexyl-6-phenylhex-1-ene-3,4-diol (PubChem CID 85416610) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol.

Molecular Properties

Compound Name3-cyclohexyl-6-phenylhex-1-ene-3,4-diol
PubChem CID85416610
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-cyclohexyl-6-phenylhex-1-ene-3,4-diol
SMILESC=CC(O)(C(O)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-2-18(20,16-11-7-4-8-12-16)17(19)14-13-15-9-5-3-6-10-15/h2-3,5-6,9-10,16-17,19-20H,1,4,7-8,11-14H2
InChIKeyUSVYAIMGKWPHOG-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308052
(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308053
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
3,3-dicyclohexylpropylbenzene
CID 86671113
(1R)-1-[(1R,2R)-2-ethenylcyclopropyl]-3-phenylpropan-1-ol
CID 12724899
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]pent-4-enoate
CID 101412852
dicyclohexylmethanol;prop-2-enylbenzene
CID 174723759
6-cyclohexyl-1-phenyl-4-(2-phenylethyl)hex-5-yn-3-ol
CID 102321879
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol?
The IUPAC name of 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol (CID 85416610) is 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol.
What is the SMILES notation for 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol?
The canonical SMILES for 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol is C=CC(O)(C(O)CCc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol?
The InChIKey is USVYAIMGKWPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-18(20,16-11-7-4-8-12-16)17(19)14-13-15-9-5-3-6-10-15/h2-3,5-6,9-10,16-17,19-20H,1,4,7-8,11-14H2.
What are the key properties of 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol?
3-cyclohexyl-6-phenylhex-1-ene-3,4-diol has a molecular weight of 274.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-phenylhex-1-ene-3,4-diol is sourced from PubChem (CID 85416610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).