3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid

C10H10O4 — CID 74315797

IUPAC3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid
SMILESCc1cc(O)c(C=CC(=O)O)c(O)c1
InChIInChI=1S/C10H10O4/c1-6-4-8(11)7(9(12)5-6)2-3-10(13)14/h2-5,11-12H,1H3,(H,13,14)
InChIKeyXJWRPEMNNSGZRK-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.50
Rot. Bonds2

About 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid

3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid (PubChem CID 74315797) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid
PubChem CID74315797
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid
SMILESCc1cc(O)c(C=CC(=O)O)c(O)c1
InChIInChI=1S/C10H10O4/c1-6-4-8(11)7(9(12)5-6)2-3-10(13)14/h2-5,11-12H,1H3,(H,13,14)
InChIKeyXJWRPEMNNSGZRK-UHFFFAOYSA-N
XLogP1.50
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxy-4,6-dimethylphenyl)prop-2-enoic acid
CID 82492148
(E)-3-(2,6-diacetyloxy-4-methylphenyl)prop-2-enoic acid
CID 58123080
(E)-3-(2,4-difluoro-6-hydroxyphenyl)prop-2-enoic acid
CID 119000976
3-(2,4-difluoro-6-hydroxyphenyl)prop-2-enoic acid
CID 53441822
(E)-3-(2-hydroxy-3,4,5,6-tetramethylphenyl)prop-2-enoic acid
CID 59881577
3-(2,3,6-trihydroxyphenyl)prop-2-enoic acid
CID 91065425
3-(2,6-difluoro-4-hydroxyphenyl)prop-2-enoic acid
CID 169460440
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
3-[2-(2-carboxyethenyl)-3-hydroxyphenyl]prop-2-enoic acid
CID 54408784
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid
CID 159175185
3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid (CID 74315797) is 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid is Cc1cc(O)c(C=CC(=O)O)c(O)c1.
What is the InChIKey of 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid?
The InChIKey is XJWRPEMNNSGZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-6-4-8(11)7(9(12)5-6)2-3-10(13)14/h2-5,11-12H,1H3,(H,13,14).
What are the key properties of 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid?
3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dihydroxy-4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 74315797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).