1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol

C14H20O — CID 115817129

IUPAC1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H20O/c1-10(2)7-14(15)9-13-6-5-11(3)12(4)8-13/h5-8,14-15H,9H2,1-4H3
InChIKeyAEFMQWFNVKSMER-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.17
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol

1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol (PubChem CID 115817129) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol
PubChem CID115817129
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H20O/c1-10(2)7-14(15)9-13-6-5-11(3)12(4)8-13/h5-8,14-15H,9H2,1-4H3
InChIKeyAEFMQWFNVKSMER-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.17
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

1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027435
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
2-(3,4-dimethylphenyl)-1-pyrimidin-5-ylethanol
CID 62901869
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol (CID 115817129) is 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol is CC(C)=CC(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol?
The InChIKey is AEFMQWFNVKSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)7-14(15)9-13-6-5-11(3)12(4)8-13/h5-8,14-15H,9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol?
1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol has a molecular weight of 204.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol is sourced from PubChem (CID 115817129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).