3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid

C15H13ClO4 — CID 139842014

IUPAC3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid
SMILESCC(c1ccc(O)cc1)c1cc(Cl)c(O)c(C(=O)O)c1
InChIInChI=1S/C15H13ClO4/c1-8(9-2-4-11(17)5-3-9)10-6-12(15(19)20)14(18)13(16)7-10/h2-8,17-18H,1H3,(H,19,20)
InChIKeyYWFPEWHVVCGEQM-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.60
Rot. Bonds3

About 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid

3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid (PubChem CID 139842014) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid
PubChem CID139842014
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid
SMILESCC(c1ccc(O)cc1)c1cc(Cl)c(O)c(C(=O)O)c1
InChIInChI=1S/C15H13ClO4/c1-8(9-2-4-11(17)5-3-9)10-6-12(15(19)20)14(18)13(16)7-10/h2-8,17-18H,1H3,(H,19,20)
InChIKeyYWFPEWHVVCGEQM-UHFFFAOYSA-N
XLogP3.60
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 139751316
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
5-(1-aminoethyl)-2-chlorobenzoic acid
CID 55271591
2-carboxy-4-(1-phenylethyl)phenolate
CID 54708045
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533
zinc bis(2-carboxy-4-(1-phenylethyl)phenolate)
CID 54721130
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 15085359
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
5-chloro-2,4-dihydroxy-3-methylbenzoic acid
CID 22169093

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
The IUPAC name of 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid (CID 139842014) is 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid.
What is the SMILES notation for 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
The canonical SMILES for 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid is CC(c1ccc(O)cc1)c1cc(Cl)c(O)c(C(=O)O)c1.
What is the InChIKey of 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
The InChIKey is YWFPEWHVVCGEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-8(9-2-4-11(17)5-3-9)10-6-12(15(19)20)14(18)13(16)7-10/h2-8,17-18H,1H3,(H,19,20).
What are the key properties of 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid is sourced from PubChem (CID 139842014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).