(E)-4-(2-methoxyphenyl)but-3-en-1-ol

C11H14O2 — CID 15330930

IUPAC(E)-4-(2-methoxyphenyl)but-3-en-1-ol
SMILESCOc1ccccc1/C=C/CCO
InChIInChI=1S/C11H14O2/c1-13-11-8-3-2-6-10(11)7-4-5-9-12/h2-4,6-8,12H,5,9H2,1H3/b7-4+
InChIKeyCJGRMRLDMSCIRZ-QPJJXVBHSA-N
MW178.23 g/mol
LogP2.09
Rot. Bonds4

About (E)-4-(2-methoxyphenyl)but-3-en-1-ol

(E)-4-(2-methoxyphenyl)but-3-en-1-ol (PubChem CID 15330930) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)but-3-en-1-ol
PubChem CID15330930
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(E)-4-(2-methoxyphenyl)but-3-en-1-ol
SMILESCOc1ccccc1/C=C/CCO
InChIInChI=1S/C11H14O2/c1-13-11-8-3-2-6-10(11)7-4-5-9-12/h2-4,6-8,12H,5,9H2,1H3/b7-4+
InChIKeyCJGRMRLDMSCIRZ-QPJJXVBHSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
2-(4-hydroxybut-1-enyl)-6-methoxybenzoic acid
CID 170477137
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
S-[4-(2-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479712
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyphenyl)but-3-en-1-ol?
The IUPAC name of (E)-4-(2-methoxyphenyl)but-3-en-1-ol (CID 15330930) is (E)-4-(2-methoxyphenyl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(2-methoxyphenyl)but-3-en-1-ol is COc1ccccc1/C=C/CCO.
What is the InChIKey of (E)-4-(2-methoxyphenyl)but-3-en-1-ol?
The InChIKey is CJGRMRLDMSCIRZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-11-8-3-2-6-10(11)7-4-5-9-12/h2-4,6-8,12H,5,9H2,1H3/b7-4+.
What are the key properties of (E)-4-(2-methoxyphenyl)but-3-en-1-ol?
(E)-4-(2-methoxyphenyl)but-3-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.09, 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-3-en-1-ol is sourced from PubChem (CID 15330930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).