4-hydroxy-2-prop-2-ynoxybenzoic acid

C10H8O4 — CID 156621026

IUPAC4-hydroxy-2-prop-2-ynoxybenzoic acid
SMILESC#CCOc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H8O4/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h1,3-4,6,11H,5H2,(H,12,13)
InChIKeyDVFODIZPFOMZBJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.10
Rot. Bonds3

About 4-hydroxy-2-prop-2-ynoxybenzoic acid

4-hydroxy-2-prop-2-ynoxybenzoic acid (PubChem CID 156621026) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-hydroxy-2-prop-2-ynoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-prop-2-ynoxybenzoic acid
PubChem CID156621026
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name4-hydroxy-2-prop-2-ynoxybenzoic acid
SMILESC#CCOc1cc(O)ccc1C(=O)O
InChIInChI=1S/C10H8O4/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h1,3-4,6,11H,5H2,(H,12,13)
InChIKeyDVFODIZPFOMZBJ-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-4-hydroxybenzoic acid
CID 70316659
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
4-(2-hydroxyacetyl)-3-prop-2-ynoxybenzoic acid;bis(2-hydroxy-1-[4-(2-hydroxyacetyl)-3-prop-2-ynoxyphenyl]ethanone);2-hydroxy-1-[3-hydroxy-4-(2-hydroxyacetyl)phenyl]ethanone
CID 158854512
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
6,7-bis(prop-2-ynoxy)naphthalene-1-carboxylic acid
CID 71368788
2-ethoxycarbonyl-5-prop-2-ynoxybenzoic acid
CID 87472600
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
CID 46229706
4-amino-2-(cyanomethoxy)benzoic acid
CID 106954874
3,4,5-trihydroxybenzoic acid;3,4,5-tris(prop-2-ynoxy)benzoic acid
CID 165057853
1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
3-prop-2-ynoxy-4-(trifluoromethoxy)benzoic acid
CID 170682084

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-prop-2-ynoxybenzoic acid?
The IUPAC name of 4-hydroxy-2-prop-2-ynoxybenzoic acid (CID 156621026) is 4-hydroxy-2-prop-2-ynoxybenzoic acid.
What is the SMILES notation for 4-hydroxy-2-prop-2-ynoxybenzoic acid?
The canonical SMILES for 4-hydroxy-2-prop-2-ynoxybenzoic acid is C#CCOc1cc(O)ccc1C(=O)O.
What is the InChIKey of 4-hydroxy-2-prop-2-ynoxybenzoic acid?
The InChIKey is DVFODIZPFOMZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h1,3-4,6,11H,5H2,(H,12,13).
What are the key properties of 4-hydroxy-2-prop-2-ynoxybenzoic acid?
4-hydroxy-2-prop-2-ynoxybenzoic acid has a molecular weight of 192.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-prop-2-ynoxybenzoic acid is sourced from PubChem (CID 156621026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).