4-methyl-1-(2-methylphenyl)pent-3-en-2-ol

C13H18O — CID 115817148

IUPAC4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1ccccc1C
InChIInChI=1S/C13H18O/c1-10(2)8-13(14)9-12-7-5-4-6-11(12)3/h4-8,13-14H,9H2,1-3H3
InChIKeyXSBZVQZTAPHPPC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.86
Rot. Bonds3

About 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol

4-methyl-1-(2-methylphenyl)pent-3-en-2-ol (PubChem CID 115817148) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
PubChem CID115817148
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1ccccc1C
InChIInChI=1S/C13H18O/c1-10(2)8-13(14)9-12-7-5-4-6-11(12)3/h4-8,13-14H,9H2,1-3H3
InChIKeyXSBZVQZTAPHPPC-UHFFFAOYSA-N
XLogP2.86
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 ≤ 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

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1,1-diamino-1,3-bis(2-methylphenyl)propan-2-ol
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CID 79087104
4-ethyl-1-(2-methylphenyl)hexan-2-ol
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(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol?
The IUPAC name of 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol (CID 115817148) is 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol is CC(C)=CC(O)Cc1ccccc1C.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol?
The InChIKey is XSBZVQZTAPHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)8-13(14)9-12-7-5-4-6-11(12)3/h4-8,13-14H,9H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol?
4-methyl-1-(2-methylphenyl)pent-3-en-2-ol has a molecular weight of 190.29 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 4-methyl-1-(2-methylphenyl)pent-3-en-2-ol is sourced from PubChem (CID 115817148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).