(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one

C19H28O2 — CID 10684796

IUPAC(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one
SMILESCCCC/C=C(\C(=O)C(C)(C)C)C(C)(O)c1ccccc1
InChIInChI=1S/C19H28O2/c1-6-7-9-14-16(17(20)18(2,3)4)19(5,21)15-12-10-8-11-13-15/h8,10-14,21H,6-7,9H2,1-5H3/b16-14+
InChIKeyXXAFVZJIAMLZRU-JQIJEIRASA-N
MW288.43 g/mol
LogP4.63
Rot. Bonds6

About (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one

(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one (PubChem CID 10684796) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one
PubChem CID10684796
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one
SMILESCCCC/C=C(\C(=O)C(C)(C)C)C(C)(O)c1ccccc1
InChIInChI=1S/C19H28O2/c1-6-7-9-14-16(17(20)18(2,3)4)19(5,21)15-12-10-8-11-13-15/h8,10-14,21H,6-7,9H2,1-5H3/b16-14+
InChIKeyXXAFVZJIAMLZRU-JQIJEIRASA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one 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

2-hydroxy-2-phenylhexan-3-one
CID 3696245
(E)-2,2,4-trimethylnon-4-en-3-one
CID 24828917
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylicosanal
CID 174730762
2-methyl-2-phenylnonadecanoic acid
CID 140988291
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
N-hexyl-3,3,3-triphenylpropanamide
CID 11417778
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
tert-butylbenzene;hexane
CID 175254424

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one?
The IUPAC name of (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one (CID 10684796) is (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one.
What is the SMILES notation for (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one?
The canonical SMILES for (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one is CCCC/C=C(\C(=O)C(C)(C)C)C(C)(O)c1ccccc1.
What is the InChIKey of (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one?
The InChIKey is XXAFVZJIAMLZRU-JQIJEIRASA-N. The full InChI is InChI=1S/C19H28O2/c1-6-7-9-14-16(17(20)18(2,3)4)19(5,21)15-12-10-8-11-13-15/h8,10-14,21H,6-7,9H2,1-5H3/b16-14+.
What are the key properties of (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one?
(Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one has a molecular weight of 288.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-hydroxy-1-phenylethyl)-2,2-dimethylnon-4-en-3-one is sourced from PubChem (CID 10684796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).