2,3-dimethyl-4-phenylpent-2-en-1-ol

C13H18O — CID 123406517

IUPAC2,3-dimethyl-4-phenylpent-2-en-1-ol
SMILESCC(CO)=C(C)C(C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(9-14)11(2)12(3)13-7-5-4-6-8-13/h4-8,12,14H,9H2,1-3H3
InChIKeyLMXPDHAVYDJHMA-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.12
Rot. Bonds3

About 2,3-dimethyl-4-phenylpent-2-en-1-ol

2,3-dimethyl-4-phenylpent-2-en-1-ol (PubChem CID 123406517) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenylpent-2-en-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-4-phenylpent-2-en-1-ol
PubChem CID123406517
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2,3-dimethyl-4-phenylpent-2-en-1-ol
SMILESCC(CO)=C(C)C(C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(9-14)11(2)12(3)13-7-5-4-6-8-13/h4-8,12,14H,9H2,1-3H3
InChIKeyLMXPDHAVYDJHMA-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.12
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

ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
ethoxyethane;2-phenylpropanoic acid
CID 174766454
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
CID 131346173
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenylpent-2-en-1-ol?
The IUPAC name of 2,3-dimethyl-4-phenylpent-2-en-1-ol (CID 123406517) is 2,3-dimethyl-4-phenylpent-2-en-1-ol.
What is the SMILES notation for 2,3-dimethyl-4-phenylpent-2-en-1-ol?
The canonical SMILES for 2,3-dimethyl-4-phenylpent-2-en-1-ol is CC(CO)=C(C)C(C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-4-phenylpent-2-en-1-ol?
The InChIKey is LMXPDHAVYDJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(9-14)11(2)12(3)13-7-5-4-6-8-13/h4-8,12,14H,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-phenylpent-2-en-1-ol?
2,3-dimethyl-4-phenylpent-2-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenylpent-2-en-1-ol is sourced from PubChem (CID 123406517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).