(E)-4-(2-methoxyphenyl)but-2-en-1-ol

C11H14O2 — CID 15500390

IUPAC(E)-4-(2-methoxyphenyl)but-2-en-1-ol
SMILESCOc1ccccc1C/C=C/CO
InChIInChI=1S/C11H14O2/c1-13-11-8-3-2-6-10(11)7-4-5-9-12/h2-6,8,12H,7,9H2,1H3/b5-4+
InChIKeyOTRAWBGGWBHDOY-SNAWJCMRSA-N
MW178.23 g/mol
LogP1.79
Rot. Bonds4

About (E)-4-(2-methoxyphenyl)but-2-en-1-ol

(E)-4-(2-methoxyphenyl)but-2-en-1-ol (PubChem CID 15500390) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)but-2-en-1-ol
PubChem CID15500390
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(E)-4-(2-methoxyphenyl)but-2-en-1-ol
SMILESCOc1ccccc1C/C=C/CO
InChIInChI=1S/C11H14O2/c1-13-11-8-3-2-6-10(11)7-4-5-9-12/h2-6,8,12H,7,9H2,1H3/b5-4+
InChIKeyOTRAWBGGWBHDOY-SNAWJCMRSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
CID 135008625
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol
CID 67673367
2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
CID 66982700
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
[2-[4-(2-acetyloxyphenyl)but-2-enyl]phenyl] acetate
CID 123328089
lithium (2-methoxyphenyl)methanolate
CID 139799103
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyphenyl)but-2-en-1-ol?
The IUPAC name of (E)-4-(2-methoxyphenyl)but-2-en-1-ol (CID 15500390) is (E)-4-(2-methoxyphenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(2-methoxyphenyl)but-2-en-1-ol is COc1ccccc1C/C=C/CO.
What is the InChIKey of (E)-4-(2-methoxyphenyl)but-2-en-1-ol?
The InChIKey is OTRAWBGGWBHDOY-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-11-8-3-2-6-10(11)7-4-5-9-12/h2-6,8,12H,7,9H2,1H3/b5-4+.
What are the key properties of (E)-4-(2-methoxyphenyl)but-2-en-1-ol?
(E)-4-(2-methoxyphenyl)but-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenyl)but-2-en-1-ol is sourced from PubChem (CID 15500390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).