(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

C19H28O — CID 10956665

IUPAC(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C(C)(C)c2ccccc2)C1
InChIInChI=1S/C19H28O/c1-14(2)15-11-12-19(5,20)17(13-15)18(3,4)16-9-7-6-8-10-16/h6-10,15,17,20H,1,11-13H2,2-5H3/t15-,17-,19+/m1/s1
InChIKeyIXAKDJOCPSVYMR-SUMDDJOVSA-N
MW272.43 g/mol
LogP4.71
Rot. Bonds3

About (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 10956665) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID10956665
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C(C)(C)c2ccccc2)C1
InChIInChI=1S/C19H28O/c1-14(2)15-11-12-19(5,20)17(13-15)18(3,4)16-9-7-6-8-10-16/h6-10,15,17,20H,1,11-13H2,2-5H3/t15-,17-,19+/m1/s1
InChIKeyIXAKDJOCPSVYMR-SUMDDJOVSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 10956665) is (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](C(C)(C)c2ccccc2)C1.
What is the InChIKey of (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is IXAKDJOCPSVYMR-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H28O/c1-14(2)15-11-12-19(5,20)17(13-15)18(3,4)16-9-7-6-8-10-16/h6-10,15,17,20H,1,11-13H2,2-5H3/t15-,17-,19+/m1/s1.
What are the key properties of (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10956665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).