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

C13H18O — CID 83923372

IUPAC3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol
SMILESC/C=C\C(C)Cc1ccc(O)cc1C
InChIInChI=1S/C13H18O/c1-4-5-10(2)8-12-6-7-13(14)9-11(12)3/h4-7,9-10,14H,8H2,1-3H3/b5-4-
InChIKeyQCWLNCCRTMOKEI-PLNGDYQASA-N
MW190.29 g/mol
LogP3.46
Rot. Bonds3

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

3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol (PubChem CID 83923372) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol.

Molecular Properties

Compound Name3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol
PubChem CID83923372
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol
SMILESC/C=C\C(C)Cc1ccc(O)cc1C
InChIInChI=1S/C13H18O/c1-4-5-10(2)8-12-6-7-13(14)9-11(12)3/h4-7,9-10,14H,8H2,1-3H3/b5-4-
InChIKeyQCWLNCCRTMOKEI-PLNGDYQASA-N
XLogP3.46
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 ≤ 53.46
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

2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
CID 83937167
1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83931670
1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
CID 83939747
(2S)-3-(4-hydroxy-2-methylphenyl)-2-(prop-2-enoylamino)propanoic acid
CID 141246345
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
ethyl (2S)-2-[(4-hydroxy-2-methylphenyl)methyl]butanoate
CID 129390937
1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83925856
4-(2-bromoethyl)-3-methylphenol
CID 154476317
3-(4-fluoro-2-methylphenyl)-2-methylpropanal
CID 64665995
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
4-(ethylsulfonylmethyl)-3-methylphenol
CID 117219414

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol?
The IUPAC name of 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol (CID 83923372) is 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol.
What is the SMILES notation for 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol?
The canonical SMILES for 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol is C/C=C\C(C)Cc1ccc(O)cc1C.
What is the InChIKey of 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol?
The InChIKey is QCWLNCCRTMOKEI-PLNGDYQASA-N. The full InChI is InChI=1S/C13H18O/c1-4-5-10(2)8-12-6-7-13(14)9-11(12)3/h4-7,9-10,14H,8H2,1-3H3/b5-4-.
What are the key properties of 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol?
3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol has a molecular weight of 190.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol is sourced from PubChem (CID 83923372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).