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

C12H14O2 — CID 141492714

IUPAC[2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol
SMILESC=C/C=C/c1c(CO)cccc1OC
InChIInChI=1S/C12H14O2/c1-3-4-7-11-10(9-13)6-5-8-12(11)14-2/h3-8,13H,1,9H2,2H3/b7-4+
InChIKeyVOPPUDPEYISDAE-QPJJXVBHSA-N
MW190.24 g/mol
LogP2.39
Rot. Bonds4

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

[2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol (PubChem CID 141492714) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol
PubChem CID141492714
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name[2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol
SMILESC=C/C=C/c1c(CO)cccc1OC
InChIInChI=1S/C12H14O2/c1-3-4-7-11-10(9-13)6-5-8-12(11)14-2/h3-8,13H,1,9H2,2H3/b7-4+
InChIKeyVOPPUDPEYISDAE-QPJJXVBHSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol 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

methyl (E)-3-[2-(hydroxymethyl)-6-methoxyphenyl]prop-2-enoate
CID 19598060
(2-(111C)methoxyphenyl)methanol
CID 59897789
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
3-(2,6-dimethoxyphenyl)prop-2-enal
CID 54191678
[2-[3-(2-methoxyphenyl)prop-2-enylamino]phenyl]methanol
CID 91941437
[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate
CID 23585992
2-[(1Z)-buta-1,3-dienyl]-4-methoxy-3-methylbenzenesulfonic acid
CID 58795651
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
1-methoxy-2-(2-methylidenebut-3-enyl)benzene
CID 13111835
[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
CID 153279008
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836

Frequently Asked Questions

What is the IUPAC name of [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol?
The IUPAC name of [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol (CID 141492714) is [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol?
The canonical SMILES for [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol is C=C/C=C/c1c(CO)cccc1OC.
What is the InChIKey of [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol?
The InChIKey is VOPPUDPEYISDAE-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-4-7-11-10(9-13)6-5-8-12(11)14-2/h3-8,13H,1,9H2,2H3/b7-4+.
What are the key properties of [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol?
[2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol has a molecular weight of 190.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1E)-buta-1,3-dienyl]-3-methoxyphenyl]methanol is sourced from PubChem (CID 141492714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).