(E)-2-methoxy-4-phenylbut-3-enoic acid

C11H12O3 — CID 11217749

IUPAC(E)-2-methoxy-4-phenylbut-3-enoic acid
SMILESCOC(/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C11H12O3/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-8,10H,1H3,(H,12,13)/b8-7+
InChIKeyBAQQKYDAHCKIES-BQYQJAHWSA-N
MW192.21 g/mol
LogP1.80
Rot. Bonds4

About (E)-2-methoxy-4-phenylbut-3-enoic acid

(E)-2-methoxy-4-phenylbut-3-enoic acid (PubChem CID 11217749) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (E)-2-methoxy-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-2-methoxy-4-phenylbut-3-enoic acid
PubChem CID11217749
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(E)-2-methoxy-4-phenylbut-3-enoic acid
SMILESCOC(/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C11H12O3/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-8,10H,1H3,(H,12,13)/b8-7+
InChIKeyBAQQKYDAHCKIES-BQYQJAHWSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-5-methoxy-4-methylidene-7-phenylhept-6-en-3-one
CID 101059452
[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
(1-oxo-1,4-diphenylbut-3-en-2-yl) nitrite
CID 174665689
(3-bromo-3-methoxyprop-1-enyl)benzene
CID 118936577
3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
CID 91519477
(E,4S)-4-(4-methoxyphenoxy)-3-methylidene-6-phenylhex-5-en-2-one
CID 101436080
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
CID 18957413
(2Z,6E)-3,5-dimethoxy-4-methyl-7-phenylhepta-2,6-dienoic acid
CID 22000934
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-4-phenylbut-3-enoic acid?
The IUPAC name of (E)-2-methoxy-4-phenylbut-3-enoic acid (CID 11217749) is (E)-2-methoxy-4-phenylbut-3-enoic acid.
What is the SMILES notation for (E)-2-methoxy-4-phenylbut-3-enoic acid?
The canonical SMILES for (E)-2-methoxy-4-phenylbut-3-enoic acid is COC(/C=C/c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-methoxy-4-phenylbut-3-enoic acid?
The InChIKey is BAQQKYDAHCKIES-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-8,10H,1H3,(H,12,13)/b8-7+.
What are the key properties of (E)-2-methoxy-4-phenylbut-3-enoic acid?
(E)-2-methoxy-4-phenylbut-3-enoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-4-phenylbut-3-enoic acid is sourced from PubChem (CID 11217749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).