(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid

C13H16O3 — CID 57379628

IUPAC(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid
SMILESCOc1cc(/C(C)=C/CC(=O)O)ccc1C
InChIInChI=1S/C13H16O3/c1-9(5-7-13(14)15)11-6-4-10(2)12(8-11)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)/b9-5+
InChIKeyIQXKGMIGPHQBQK-WEVVVXLNSA-N
MW220.27 g/mol
LogP2.88
Rot. Bonds4

About (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid

(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid (PubChem CID 57379628) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid
PubChem CID57379628
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid
SMILESCOc1cc(/C(C)=C/CC(=O)O)ccc1C
InChIInChI=1S/C13H16O3/c1-9(5-7-13(14)15)11-6-4-10(2)12(8-11)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)/b9-5+
InChIKeyIQXKGMIGPHQBQK-WEVVVXLNSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxy-4-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727267
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
1-(3-methoxy-4-methylphenyl)pent-4-en-1-one
CID 114974988
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
amino 3-methoxy-4-methylbenzoate
CID 175307316
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
(E)-6-(3-chloro-4-methoxyphenyl)hept-5-enoic acid
CID 95472505
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid?
The IUPAC name of (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid (CID 57379628) is (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid is COc1cc(/C(C)=C/CC(=O)O)ccc1C.
What is the InChIKey of (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid?
The InChIKey is IQXKGMIGPHQBQK-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(5-7-13(14)15)11-6-4-10(2)12(8-11)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)/b9-5+.
What are the key properties of (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid?
(E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methoxy-4-methylphenyl)pent-3-enoic acid is sourced from PubChem (CID 57379628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).