(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol

C16H24O — CID 71658091

IUPAC(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
SMILESCC(C)/C=C/[C@H](C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C16H24O/c1-13(2)9-10-14(3)16(17)12-11-15-7-5-4-6-8-15/h4-10,13-14,16-17H,11-12H2,1-3H3/b10-9+/t14-,16+/m0/s1
InChIKeyYNYDNCFMTXRPPM-KTMLPXRHSA-N
MW232.37 g/mol
LogP3.83
Rot. Bonds6

About (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol

(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol (PubChem CID 71658091) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol.

Molecular Properties

Compound Name(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
PubChem CID71658091
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
SMILESCC(C)/C=C/[C@H](C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C16H24O/c1-13(2)9-10-14(3)16(17)12-11-15-7-5-4-6-8-15/h4-10,13-14,16-17H,11-12H2,1-3H3/b10-9+/t14-,16+/m0/s1
InChIKeyYNYDNCFMTXRPPM-KTMLPXRHSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
tert-butyl (E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-2-enoate
CID 102465462
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol?
The IUPAC name of (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol (CID 71658091) is (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol.
What is the SMILES notation for (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol?
The canonical SMILES for (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol is CC(C)/C=C/[C@H](C)[C@H](O)CCc1ccccc1.
What is the InChIKey of (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol?
The InChIKey is YNYDNCFMTXRPPM-KTMLPXRHSA-N. The full InChI is InChI=1S/C16H24O/c1-13(2)9-10-14(3)16(17)12-11-15-7-5-4-6-8-15/h4-10,13-14,16-17H,11-12H2,1-3H3/b10-9+/t14-,16+/m0/s1.
What are the key properties of (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol?
(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol has a molecular weight of 232.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol is sourced from PubChem (CID 71658091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).