2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid

C16H14O5 — CID 156787374

IUPAC2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
SMILESCCOc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C16H14O5/c1-2-21-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20/h3-9,17H,2H2,1H3,(H,19,20)
InChIKeyYBGZGJPWWNMWST-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid

2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid (PubChem CID 156787374) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
PubChem CID156787374
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
SMILESCCOc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIInChI=1S/C16H14O5/c1-2-21-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20/h3-9,17H,2H2,1H3,(H,19,20)
InChIKeyYBGZGJPWWNMWST-UHFFFAOYSA-N
XLogP2.72
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
CID 88663945
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
ethoxyethane;[4-(3-ethoxypropoxy)-2-hydroxyphenyl]-phenylmethanone
CID 162734558
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid?
The IUPAC name of 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid (CID 156787374) is 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid?
The canonical SMILES for 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid is CCOc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1.
What is the InChIKey of 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid?
The InChIKey is YBGZGJPWWNMWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-2-21-10-7-8-13(14(17)9-10)15(18)11-5-3-4-6-12(11)16(19)20/h3-9,17H,2H2,1H3,(H,19,20).
What are the key properties of 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid?
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid is sourced from PubChem (CID 156787374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).