(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid

C10H10O4 — CID 96869545

IUPAC(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(O)c1/C=C\C(=O)O
InChIInChI=1S/C10H10O4/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6,11H,1H3,(H,12,13)/b6-5-
InChIKeyWBRWUZKQKYQPAM-WAYWQWQTSA-N
MW194.19 g/mol
LogP1.50
Rot. Bonds3

About (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid

(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid (PubChem CID 96869545) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
PubChem CID96869545
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(O)c1/C=C\C(=O)O
InChIInChI=1S/C10H10O4/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6,11H,1H3,(H,12,13)/b6-5-
InChIKeyWBRWUZKQKYQPAM-WAYWQWQTSA-N
XLogP1.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961
3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid
CID 53401642
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157
3-methoxy-2-(3-methylbuta-1,3-dienyl)phenol
CID 141105090
(1E,6E)-1-(2-hydroxy-6-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552536
3-[2-(2-carboxyethenyl)-3-hydroxyphenyl]prop-2-enoic acid
CID 54408784
(E)-3-(2,3-dichloro-6-methoxyphenyl)prop-2-enoic acid
CID 171009257
(E)-3-(3-bromo-6-methoxy-2-methylphenyl)prop-2-enoic acid
CID 171004713
(E)-3-[2-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoic acid
CID 153427172
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
1-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 70156537
3-(4-hydroxy-2,3,5,6-tetramethoxyphenyl)prop-2-enoic acid
CID 141398718

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid (CID 96869545) is (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid is COc1cccc(O)c1/C=C\C(=O)O.
What is the InChIKey of (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid?
The InChIKey is WBRWUZKQKYQPAM-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6,11H,1H3,(H,12,13)/b6-5-.
What are the key properties of (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 96869545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).