(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol

C16H22O — CID 121450876

IUPAC(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
SMILESC/C(=C/C1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H22O/c1-13(12-14-8-4-2-5-9-14)16(17)15-10-6-3-7-11-15/h3,6-7,10-12,14,16-17H,2,4-5,8-9H2,1H3/b13-12-/t16-/m0/s1
InChIKeyLXDHOPAHUJNPIH-AHKFDXCISA-N
MW230.35 g/mol
LogP4.25
Rot. Bonds3

About (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol

(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol (PubChem CID 121450876) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
PubChem CID121450876
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
SMILESC/C(=C/C1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H22O/c1-13(12-14-8-4-2-5-9-14)16(17)15-10-6-3-7-11-15/h3,6-7,10-12,14,16-17H,2,4-5,8-9H2,1H3/b13-12-/t16-/m0/s1
InChIKeyLXDHOPAHUJNPIH-AHKFDXCISA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.25
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

cyclopentanecarbaldehyde;2-hydroxy-2-phenylacetic acid
CID 87781655
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol
CID 154710158
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(S)-cyclopentyl(phenyl)methanol
CID 36691435
2-cyclopentyl-1-phenylethanol
CID 15629098
1-cyclopentyl-N-[2-(cyclopentylmethylideneamino)-1,2-diphenylethyl]methanimine
CID 22981639
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
[(1S,2R)-2-cyclohexyl-2-hydroxy-1-phenylethyl]-dimethylsulfanium iodide
CID 10691895
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol?
The IUPAC name of (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol (CID 121450876) is (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol.
What is the SMILES notation for (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol?
The canonical SMILES for (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol is C/C(=C/C1CCCCC1)[C@H](O)c1ccccc1.
What is the InChIKey of (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol?
The InChIKey is LXDHOPAHUJNPIH-AHKFDXCISA-N. The full InChI is InChI=1S/C16H22O/c1-13(12-14-8-4-2-5-9-14)16(17)15-10-6-3-7-11-15/h3,6-7,10-12,14,16-17H,2,4-5,8-9H2,1H3/b13-12-/t16-/m0/s1.
What are the key properties of (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol?
(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol has a molecular weight of 230.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol is sourced from PubChem (CID 121450876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).