(3S)-4-methyl-1-phenylhex-5-en-3-ol

C13H18O — CID 177392866

IUPAC(3S)-4-methyl-1-phenylhex-5-en-3-ol
SMILESC=CC(C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C13H18O/c1-3-11(2)13(14)10-9-12-7-5-4-6-8-12/h3-8,11,13-14H,1,9-10H2,2H3/t11?,13-/m0/s1
InChIKeyPXGZVEMZSFQBCV-YUZLPWPTSA-N
MW190.29 g/mol
LogP2.80
Rot. Bonds5

About (3S)-4-methyl-1-phenylhex-5-en-3-ol

(3S)-4-methyl-1-phenylhex-5-en-3-ol (PubChem CID 177392866) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (3S)-4-methyl-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-4-methyl-1-phenylhex-5-en-3-ol
PubChem CID177392866
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(3S)-4-methyl-1-phenylhex-5-en-3-ol
SMILESC=CC(C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C13H18O/c1-3-11(2)13(14)10-9-12-7-5-4-6-8-12/h3-8,11,13-14H,1,9-10H2,2H3/t11?,13-/m0/s1
InChIKeyPXGZVEMZSFQBCV-YUZLPWPTSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.80
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

(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
CID 71658091
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
3-ethenyl-6-phenylhexane-1,4-diol
CID 10513125
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
methane;molecular fluorine;bis(sulfur dioxide);[(3S,4R,6S)-3,4,5,6-tetramethyloct-7-enyl]benzene;(3S,4S,6S)-4,5,6-trimethyl-1-phenyloct-7-en-3-ol
CID 161425721
2-ethenyl-3-methyl-5-phenylpentan-1-ol
CID 129208620
(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
2-methyl-4-phenylbutane-1,1-diol
CID 20647936

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-1-phenylhex-5-en-3-ol?
The IUPAC name of (3S)-4-methyl-1-phenylhex-5-en-3-ol (CID 177392866) is (3S)-4-methyl-1-phenylhex-5-en-3-ol.
What is the SMILES notation for (3S)-4-methyl-1-phenylhex-5-en-3-ol?
The canonical SMILES for (3S)-4-methyl-1-phenylhex-5-en-3-ol is C=CC(C)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (3S)-4-methyl-1-phenylhex-5-en-3-ol?
The InChIKey is PXGZVEMZSFQBCV-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H18O/c1-3-11(2)13(14)10-9-12-7-5-4-6-8-12/h3-8,11,13-14H,1,9-10H2,2H3/t11?,13-/m0/s1.
What are the key properties of (3S)-4-methyl-1-phenylhex-5-en-3-ol?
(3S)-4-methyl-1-phenylhex-5-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 177392866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).