(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol

C18H24O — CID 11357317

IUPAC(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C18H24O/c1-5-18(4)12-11-15(13(2)3)17(19)16(18)14-9-7-6-8-10-14/h5-10,15-17,19H,1-2,11-12H2,3-4H3/t15-,16+,17-,18+/m0/s1
InChIKeyZCWIXFZWKIUPRM-XWTMOSNGSA-N
MW256.39 g/mol
LogP4.31
Rot. Bonds3

About (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol

(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 11357317) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID11357317
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C18H24O/c1-5-18(4)12-11-15(13(2)3)17(19)16(18)14-9-7-6-8-10-14/h5-10,15-17,19H,1-2,11-12H2,3-4H3/t15-,16+,17-,18+/m0/s1
InChIKeyZCWIXFZWKIUPRM-XWTMOSNGSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,5R,6R)-2-ethenyl-6-(1H-indol-3-yl)-2-methyl-5-prop-1-en-2-ylcyclohexyl]-methylazanide
CID 163133971
N-[(1R,2S,5S,6S)-2-ethenyl-6-(1H-indol-3-yl)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanimine
CID 162884772
(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101280480
[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
CID 155932132
1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol
CID 141393277
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 3834468
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
CID 134858494
(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 1426755
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227
(1S,2S,4aR,8R,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
CID 12978159
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol (CID 11357317) is (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol is C=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](O)[C@H]1c1ccccc1.
What is the InChIKey of (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is ZCWIXFZWKIUPRM-XWTMOSNGSA-N. The full InChI is InChI=1S/C18H24O/c1-5-18(4)12-11-15(13(2)3)17(19)16(18)14-9-7-6-8-10-14/h5-10,15-17,19H,1-2,11-12H2,3-4H3/t15-,16+,17-,18+/m0/s1.
What are the key properties of (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 11357317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).