(5E,9E)-1-phenyldodeca-5,9-dien-3-ol

C18H26O — CID 102008649

IUPAC(5E,9E)-1-phenyldodeca-5,9-dien-3-ol
SMILESCC/C=C/CC/C=C/CC(O)CCc1ccccc1
InChIInChI=1S/C18H26O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h3-4,7-13,18-19H,2,5-6,14-16H2,1H3/b4-3+,11-7+
InChIKeyGCEKYCZDLZVDNP-KDYKCUIDSA-N
MW258.40 g/mol
LogP4.67
Rot. Bonds9

About (5E,9E)-1-phenyldodeca-5,9-dien-3-ol

(5E,9E)-1-phenyldodeca-5,9-dien-3-ol (PubChem CID 102008649) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (5E,9E)-1-phenyldodeca-5,9-dien-3-ol.

Molecular Properties

Compound Name(5E,9E)-1-phenyldodeca-5,9-dien-3-ol
PubChem CID102008649
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(5E,9E)-1-phenyldodeca-5,9-dien-3-ol
SMILESCC/C=C/CC/C=C/CC(O)CCc1ccccc1
InChIInChI=1S/C18H26O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h3-4,7-13,18-19H,2,5-6,14-16H2,1H3/b4-3+,11-7+
InChIKeyGCEKYCZDLZVDNP-KDYKCUIDSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9E)-1-phenyldodeca-5,9-dien-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

(E)-1-phenyldodec-5-en-3-ol
CID 15370002
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-phenylheptan-3-ol
CID 10420110
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
5-hydroxy-7-phenylheptane-3-sulfinic acid
CID 174656359
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
N-ethyl-7-[5-(3-hydroxy-5-phenylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 123951180

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-1-phenyldodeca-5,9-dien-3-ol?
The IUPAC name of (5E,9E)-1-phenyldodeca-5,9-dien-3-ol (CID 102008649) is (5E,9E)-1-phenyldodeca-5,9-dien-3-ol.
What is the SMILES notation for (5E,9E)-1-phenyldodeca-5,9-dien-3-ol?
The canonical SMILES for (5E,9E)-1-phenyldodeca-5,9-dien-3-ol is CC/C=C/CC/C=C/CC(O)CCc1ccccc1.
What is the InChIKey of (5E,9E)-1-phenyldodeca-5,9-dien-3-ol?
The InChIKey is GCEKYCZDLZVDNP-KDYKCUIDSA-N. The full InChI is InChI=1S/C18H26O/c1-2-3-4-5-6-7-11-14-18(19)16-15-17-12-9-8-10-13-17/h3-4,7-13,18-19H,2,5-6,14-16H2,1H3/b4-3+,11-7+.
What are the key properties of (5E,9E)-1-phenyldodeca-5,9-dien-3-ol?
(5E,9E)-1-phenyldodeca-5,9-dien-3-ol has a molecular weight of 258.40 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-1-phenyldodeca-5,9-dien-3-ol is sourced from PubChem (CID 102008649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).