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

C12H16O — CID 124638062

IUPAC2-[(Z)-3-methylpent-3-enyl]phenol
SMILESC/C=C(/C)CCc1ccccc1O
InChIInChI=1S/C12H16O/c1-3-10(2)8-9-11-6-4-5-7-12(11)13/h3-7,13H,8-9H2,1-2H3/b10-3-
InChIKeyAZGJXOYHKIHDRX-KMKOMSMNSA-N
MW176.26 g/mol
LogP3.29
Rot. Bonds3

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

2-[(Z)-3-methylpent-3-enyl]phenol (PubChem CID 124638062) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(Z)-3-methylpent-3-enyl]phenol.

Molecular Properties

Compound Name2-[(Z)-3-methylpent-3-enyl]phenol
PubChem CID124638062
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-[(Z)-3-methylpent-3-enyl]phenol
SMILESC/C=C(/C)CCc1ccccc1O
InChIInChI=1S/C12H16O/c1-3-10(2)8-9-11-6-4-5-7-12(11)13/h3-7,13H,8-9H2,1-2H3/b10-3-
InChIKeyAZGJXOYHKIHDRX-KMKOMSMNSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.29
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-[(3Z)-3-methylhepta-3,6-dienyl]phenol
CID 135084324
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257
2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
CID 102455260
CID 175749710
CID 175749710
6-(2-hydroxyphenyl)-2-methylhexan-3-one
CID 83930520
2-[(E)-hex-3-enyl]phenol
CID 21272840
sodium;hydride;3-(2-hydroxyphenyl)propanamide
CID 174978881
2-(5-hydroxy-3-methylidenepentyl)phenol
CID 132918978
2-hydroxy-4-(2-hydroxyphenyl)butanal
CID 105438618
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
2-dodecylphenol
CID 160834917
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methylpent-3-enyl]phenol?
The IUPAC name of 2-[(Z)-3-methylpent-3-enyl]phenol (CID 124638062) is 2-[(Z)-3-methylpent-3-enyl]phenol.
What is the SMILES notation for 2-[(Z)-3-methylpent-3-enyl]phenol?
The canonical SMILES for 2-[(Z)-3-methylpent-3-enyl]phenol is C/C=C(/C)CCc1ccccc1O.
What is the InChIKey of 2-[(Z)-3-methylpent-3-enyl]phenol?
The InChIKey is AZGJXOYHKIHDRX-KMKOMSMNSA-N. The full InChI is InChI=1S/C12H16O/c1-3-10(2)8-9-11-6-4-5-7-12(11)13/h3-7,13H,8-9H2,1-2H3/b10-3-.
What are the key properties of 2-[(Z)-3-methylpent-3-enyl]phenol?
2-[(Z)-3-methylpent-3-enyl]phenol has a molecular weight of 176.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylpent-3-enyl]phenol is sourced from PubChem (CID 124638062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).