(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol

C16H24O — CID 102294157

IUPAC(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol
SMILESCC[C@@](O)(CCC=C(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H24O/c1-5-16(17,12-6-7-13(2)3)15-10-8-14(4)9-11-15/h7-11,17H,5-6,12H2,1-4H3/t16-/m1/s1
InChIKeyVZPXAZHFLGEZKC-MRXNPFEDSA-N
MW232.37 g/mol
LogP4.34
Rot. Bonds5

About (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol

(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol (PubChem CID 102294157) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol.

Molecular Properties

Compound Name(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol
PubChem CID102294157
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol
SMILESCC[C@@](O)(CCC=C(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H24O/c1-5-16(17,12-6-7-13(2)3)15-10-8-14(4)9-11-15/h7-11,17H,5-6,12H2,1-4H3/t16-/m1/s1
InChIKeyVZPXAZHFLGEZKC-MRXNPFEDSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.34
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

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CID 46845040
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CID 46844454
3-hydroxy-3-(4-methylphenyl)pentanoic acid
CID 62395934
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
3-(4-chlorophenyl)-1-sulfanylpentan-3-ol
CID 170075797
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 101222163
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
CID 136836120
CID 136836120
1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 176697380
(3E)-6,6,10-trimethyl-3-[(S)-(4-methylphenyl)sulfinyl]undeca-3,9-dien-2-one
CID 11727716
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methylaniline
CID 173081680
(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol
CID 102331982

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol?
The IUPAC name of (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol (CID 102294157) is (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol.
What is the SMILES notation for (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol?
The canonical SMILES for (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol is CC[C@@](O)(CCC=C(C)C)c1ccc(C)cc1.
What is the InChIKey of (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol?
The InChIKey is VZPXAZHFLGEZKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24O/c1-5-16(17,12-6-7-13(2)3)15-10-8-14(4)9-11-15/h7-11,17H,5-6,12H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol?
(3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol has a molecular weight of 232.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methyl-3-(4-methylphenyl)oct-6-en-3-ol is sourced from PubChem (CID 102294157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).