[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol

C12H14O — CID 141492715

IUPAC[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol
SMILESC=C/C=C/c1cc(C)ccc1CO
InChIInChI=1S/C12H14O/c1-3-4-5-11-8-10(2)6-7-12(11)9-13/h3-8,13H,1,9H2,2H3/b5-4+
InChIKeyGVCARMXXNVBFHH-SNAWJCMRSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds3

About [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol

[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol (PubChem CID 141492715) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol
PubChem CID141492715
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol
SMILESC=C/C=C/c1cc(C)ccc1CO
InChIInChI=1S/C12H14O/c1-3-4-5-11-8-10(2)6-7-12(11)9-13/h3-8,13H,1,9H2,2H3/b5-4+
InChIKeyGVCARMXXNVBFHH-SNAWJCMRSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylbutanoyloxy)ethyl (2E,4E)-2-cyano-5-[2-(hydroxymethyl)-5-methylphenyl]penta-2,4-dienoate
CID 130305120
1-[(1Z)-buta-1,3-dienyl]-3-chloro-2,5-dimethylbenzene
CID 155007916
3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
CID 143845327
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
CID 143644627
(2-hydrazinyl-4-methylphenyl)methanol
CID 118803713
2-(hydroxymethyl)-5-methylbenzamide
CID 166888103
(2-ethenyl-4-fluorophenyl)methanol
CID 118307012
[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
CID 54465943
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
[2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol
CID 141492714
1-[3-ethenyl-4-(hydroxymethyl)phenyl]ethanone
CID 130130966

Frequently Asked Questions

What is the IUPAC name of [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol?
The IUPAC name of [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol (CID 141492715) is [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol.
What is the SMILES notation for [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol?
The canonical SMILES for [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol is C=C/C=C/c1cc(C)ccc1CO.
What is the InChIKey of [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol?
The InChIKey is GVCARMXXNVBFHH-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H14O/c1-3-4-5-11-8-10(2)6-7-12(11)9-13/h3-8,13H,1,9H2,2H3/b5-4+.
What are the key properties of [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol?
[2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol has a molecular weight of 174.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1E)-buta-1,3-dienyl]-4-methylphenyl]methanol is sourced from PubChem (CID 141492715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).