4-methyl-2-[(E)-3-methylpent-3-enyl]phenol

C13H18O — CID 102455257

IUPAC4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
SMILESC/C=C(\C)CCc1cc(C)ccc1O
InChIInChI=1S/C13H18O/c1-4-10(2)5-7-12-9-11(3)6-8-13(12)14/h4,6,8-9,14H,5,7H2,1-3H3/b10-4+
InChIKeyFMENLRQUKRTZQY-ONNFQVAWSA-N
MW190.29 g/mol
LogP3.60
Rot. Bonds3

About 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol

4-methyl-2-[(E)-3-methylpent-3-enyl]phenol (PubChem CID 102455257) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
PubChem CID102455257
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
SMILESC/C=C(\C)CCc1cc(C)ccc1O
InChIInChI=1S/C13H18O/c1-4-10(2)5-7-12-9-11(3)6-8-13(12)14/h4,6,8-9,14H,5,7H2,1-3H3/b10-4+
InChIKeyFMENLRQUKRTZQY-ONNFQVAWSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol 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-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
CID 102455260
2-[(Z)-3-methylpent-3-enyl]phenol
CID 124638062
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(2-azidoethyl)-4-methylphenol
CID 151587113
2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
CID 123452679
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
CID 139494540
4-methyl-2-(10-methylundecyl)phenol
CID 19895157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol?
The IUPAC name of 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol (CID 102455257) is 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol.
What is the SMILES notation for 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol?
The canonical SMILES for 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol is C/C=C(\C)CCc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol?
The InChIKey is FMENLRQUKRTZQY-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H18O/c1-4-10(2)5-7-12-9-11(3)6-8-13(12)14/h4,6,8-9,14H,5,7H2,1-3H3/b10-4+.
What are the key properties of 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol?
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol has a molecular weight of 190.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-3-methylpent-3-enyl]phenol is sourced from PubChem (CID 102455257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).