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

C13H18O — CID 174388605

IUPAC4-methyl-5-(3-methylphenyl)pent-1-en-1-ol
SMILESCc1cccc(CC(C)CC=CO)c1
InChIInChI=1S/C13H18O/c1-11-5-3-7-13(9-11)10-12(2)6-4-8-14/h3-5,7-9,12,14H,6,10H2,1-2H3
InChIKeyDQIJYKZLJKTHPJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.64
Rot. Bonds4

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

4-methyl-5-(3-methylphenyl)pent-1-en-1-ol (PubChem CID 174388605) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol.

Molecular Properties

Compound Name4-methyl-5-(3-methylphenyl)pent-1-en-1-ol
PubChem CID174388605
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-methyl-5-(3-methylphenyl)pent-1-en-1-ol
SMILESCc1cccc(CC(C)CC=CO)c1
InChIInChI=1S/C13H18O/c1-11-5-3-7-13(9-11)10-12(2)6-4-8-14/h3-5,7-9,12,14H,6,10H2,1-2H3
InChIKeyDQIJYKZLJKTHPJ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-phenylpent-1-en-1-ol
CID 70372355
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
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1-(4-fluoro-2-methylpentyl)-3-methylbenzene
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(3R)-3-methyl-4-(3-methylphenyl)butanoate
CID 6954497
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
CID 159443260
3-methyl-2-[(3-methylphenyl)methyl]butanal
CID 83829594
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
2-amino-3-(3-methylphenyl)propanal
CID 82415099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol?
The IUPAC name of 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol (CID 174388605) is 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol.
What is the SMILES notation for 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol?
The canonical SMILES for 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol is Cc1cccc(CC(C)CC=CO)c1.
What is the InChIKey of 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol?
The InChIKey is DQIJYKZLJKTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11-5-3-7-13(9-11)10-12(2)6-4-8-14/h3-5,7-9,12,14H,6,10H2,1-2H3.
What are the key properties of 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol?
4-methyl-5-(3-methylphenyl)pent-1-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylphenyl)pent-1-en-1-ol is sourced from PubChem (CID 174388605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).