4-(4-methoxyphenyl)-3-methylbut-3-enoic acid

C12H14O3 — CID 4586282

IUPAC4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
SMILESCOc1ccc(C=C(C)CC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-9(8-12(13)14)7-10-3-5-11(15-2)6-4-10/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyDFSMQUUSVDGKQH-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.57
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid

4-(4-methoxyphenyl)-3-methylbut-3-enoic acid (PubChem CID 4586282) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
PubChem CID4586282
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
SMILESCOc1ccc(C=C(C)CC(=O)O)cc1
InChIInChI=1S/C12H14O3/c1-9(8-12(13)14)7-10-3-5-11(15-2)6-4-10/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyDFSMQUUSVDGKQH-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
(E)-3-(4-methoxyphenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 90282148
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
(3E,5Z)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 15352566
(3Z,5E)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 10689320
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid?
The IUPAC name of 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid (CID 4586282) is 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid is COc1ccc(C=C(C)CC(=O)O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid?
The InChIKey is DFSMQUUSVDGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(8-12(13)14)7-10-3-5-11(15-2)6-4-10/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid?
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid is sourced from PubChem (CID 4586282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).