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

C11H14O2 — CID 72800651

IUPAC4-(2-methoxyphenyl)but-3-en-2-ol
SMILESCOc1ccccc1C=CC(C)O
InChIInChI=1S/C11H14O2/c1-9(12)7-8-10-5-3-4-6-11(10)13-2/h3-9,12H,1-2H3
InChIKeyHXBSZBNLEWZCGF-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.09
Rot. Bonds3

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

4-(2-methoxyphenyl)but-3-en-2-ol (PubChem CID 72800651) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)but-3-en-2-ol
PubChem CID72800651
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-(2-methoxyphenyl)but-3-en-2-ol
SMILESCOc1ccccc1C=CC(C)O
InChIInChI=1S/C11H14O2/c1-9(12)7-8-10-5-3-4-6-11(10)13-2/h3-9,12H,1-2H3
InChIKeyHXBSZBNLEWZCGF-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 103971309
(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol
CID 102538266
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene
CID 68534389
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)but-3-en-2-ol?
The IUPAC name of 4-(2-methoxyphenyl)but-3-en-2-ol (CID 72800651) is 4-(2-methoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)but-3-en-2-ol?
The canonical SMILES for 4-(2-methoxyphenyl)but-3-en-2-ol is COc1ccccc1C=CC(C)O.
What is the InChIKey of 4-(2-methoxyphenyl)but-3-en-2-ol?
The InChIKey is HXBSZBNLEWZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(12)7-8-10-5-3-4-6-11(10)13-2/h3-9,12H,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)but-3-en-2-ol?
4-(2-methoxyphenyl)but-3-en-2-ol has a molecular weight of 178.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 72800651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).