2-methyl-5-(4-methylphenyl)pent-1-en-3-ol

C13H18O — CID 105110468

IUPAC2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
SMILESC=C(C)C(O)CCc1ccc(C)cc1
InChIInChI=1S/C13H18O/c1-10(2)13(14)9-8-12-6-4-11(3)5-7-12/h4-7,13-14H,1,8-9H2,2-3H3
InChIKeyWEQKAQGVQAEUBK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol

2-methyl-5-(4-methylphenyl)pent-1-en-3-ol (PubChem CID 105110468) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
PubChem CID105110468
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
SMILESC=C(C)C(O)CCc1ccc(C)cc1
InChIInChI=1S/C13H18O/c1-10(2)13(14)9-8-12-6-4-11(3)5-7-12/h4-7,13-14H,1,8-9H2,2-3H3
InChIKeyWEQKAQGVQAEUBK-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

Analyze 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol 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-methyl-5-(4-methylphenyl)pent-1-en-3-yl]hydrazine
CID 105319999
N-ethyl-2-methyl-5-(4-methylphenyl)pent-1-en-3-amine
CID 105163729
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1-[1-[2,4-bis(4-methylphenyl)butyl]-4-methylpent-4-enyl]-4-methylbenzene
CID 570778
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
5-methylidene-1-(4-methylphenyl)heptan-3-amine
CID 105164109
5-methyl-1-(4-methylphenyl)hex-4-en-3-amine
CID 105163477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol?
The IUPAC name of 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol (CID 105110468) is 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol is C=C(C)C(O)CCc1ccc(C)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol?
The InChIKey is WEQKAQGVQAEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13(14)9-8-12-6-4-11(3)5-7-12/h4-7,13-14H,1,8-9H2,2-3H3.
What are the key properties of 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol?
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)pent-1-en-3-ol is sourced from PubChem (CID 105110468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).