2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid

C10H8O4 — CID 169485255

IUPAC2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid
SMILESO=C(O)c1ccc(C#CCO)cc1O
InChIInChI=1S/C10H8O4/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h3-4,6,11-12H,5H2,(H,13,14)
InChIKeyUCCUWSJWMKTRFX-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.43
Rot. Bonds1

About 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid

2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid (PubChem CID 169485255) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid
PubChem CID169485255
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid
SMILESO=C(O)c1ccc(C#CCO)cc1O
InChIInChI=1S/C10H8O4/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h3-4,6,11-12H,5H2,(H,13,14)
InChIKeyUCCUWSJWMKTRFX-UHFFFAOYSA-N
XLogP0.43
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoate
CID 169485443
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709
4-[3-(3-tert-butyl-4-hydroxyphenyl)prop-1-ynyl]-2-hydroxybenzoic acid
CID 18357906
4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 5201737
methyl 2-hydroxy-5-(3-hydroxyprop-1-ynyl)benzoate
CID 169485432
4-[4-(4-carboxy-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoic acid
CID 19870017
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-morpholin-4-ylmethanone
CID 18404856
5-(3-hydroxyprop-1-ynyl)-2-nitrophenol
CID 169485357
dimethyl 4-(3-hydroxyprop-1-ynyl)benzene-1,2-dicarboxylate
CID 155584054
1-[2-chloro-4-(3-hydroxyprop-1-ynyl)phenyl]ethanone
CID 169485230
4-[2-(3,4-dicarboxyphenyl)ethynyl]phthalic acid
CID 146344853

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid (CID 169485255) is 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid is O=C(O)c1ccc(C#CCO)cc1O.
What is the InChIKey of 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid?
The InChIKey is UCCUWSJWMKTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h3-4,6,11-12H,5H2,(H,13,14).
What are the key properties of 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid?
2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid has a molecular weight of 192.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-hydroxyprop-1-ynyl)benzoic acid is sourced from PubChem (CID 169485255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).