2-methyl-3-phenylpent-1-en-3-ol

C12H16O — CID 79189457

IUPAC2-methyl-3-phenylpent-1-en-3-ol
SMILESC=C(C)C(O)(CC)c1ccccc1
InChIInChI=1S/C12H16O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h5-9,13H,2,4H2,1,3H3
InChIKeyGWBLZKQNOGWWQC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-3-phenylpent-1-en-3-ol

2-methyl-3-phenylpent-1-en-3-ol (PubChem CID 79189457) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-methyl-3-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-3-phenylpent-1-en-3-ol
PubChem CID79189457
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-methyl-3-phenylpent-1-en-3-ol
SMILESC=C(C)C(O)(CC)c1ccccc1
InChIInChI=1S/C12H16O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h5-9,13H,2,4H2,1,3H3
InChIKeyGWBLZKQNOGWWQC-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
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

2-methyl-3-phenylhex-1-en-3-ol
CID 79189564
2-methyl-3-thiophen-3-ylpent-1-en-3-ol
CID 131021089
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
2-hydroxy-2-(4-phenylphenyl)butanoic acid;hydrate
CID 117062352
(2S)-3-methyl-1,1-diphenyl-2-sulfanylbut-3-en-1-ol
CID 166858466
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
5-methylidene-3-phenylhept-6-en-3-ol
CID 90476881
5-ethyl-2-methyl-5-phenylhept-1-en-4-one
CID 79179964
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylpent-1-en-3-ol?
The IUPAC name of 2-methyl-3-phenylpent-1-en-3-ol (CID 79189457) is 2-methyl-3-phenylpent-1-en-3-ol.
What is the SMILES notation for 2-methyl-3-phenylpent-1-en-3-ol?
The canonical SMILES for 2-methyl-3-phenylpent-1-en-3-ol is C=C(C)C(O)(CC)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylpent-1-en-3-ol?
The InChIKey is GWBLZKQNOGWWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-12(13,10(2)3)11-8-6-5-7-9-11/h5-9,13H,2,4H2,1,3H3.
What are the key properties of 2-methyl-3-phenylpent-1-en-3-ol?
2-methyl-3-phenylpent-1-en-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylpent-1-en-3-ol is sourced from PubChem (CID 79189457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).