(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

C10H10O5 — CID 10727141

IUPAC(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\O)C(=O)O)cc1O
InChIInChI=1S/C10H10O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-5,11-12H,1H3,(H,13,14)/b8-5-
InChIKeyGFDYARYMJCWDHR-YVMONPNESA-N
MW210.18 g/mol
LogP1.38
Rot. Bonds3

About (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (PubChem CID 10727141) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
PubChem CID10727141
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\O)C(=O)O)cc1O
InChIInChI=1S/C10H10O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-5,11-12H,1H3,(H,13,14)/b8-5-
InChIKeyGFDYARYMJCWDHR-YVMONPNESA-N
XLogP1.38
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-2-hydroxyprop-2-enoic acid
CID 175687198
(2E,3Z)-2,3-bis[(3-hydroxy-4-methoxyphenyl)methylidene]butanedial
CID 177405847
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
5-methanimidoyl-2-methoxyphenol
CID 23221891
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
2-chloro-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 165355248
2-methoxyethyl (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 6211834
sodium (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 66849635
prop-2-enyl (E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 7972729

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (CID 10727141) is (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C(\O)C(=O)O)cc1O.
What is the InChIKey of (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is GFDYARYMJCWDHR-YVMONPNESA-N. The full InChI is InChI=1S/C10H10O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-5,11-12H,1H3,(H,13,14)/b8-5-.
What are the key properties of (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid?
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 210.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 10727141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).