benzyl 3-chloro-4-hydroxybenzoate

C14H11ClO3 — CID 54290465

IUPACbenzyl 3-chloro-4-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11ClO3/c15-12-8-11(6-7-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyRXDJDBKNFDLEOQ-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.40
Rot. Bonds3

About benzyl 3-chloro-4-hydroxybenzoate

benzyl 3-chloro-4-hydroxybenzoate (PubChem CID 54290465) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is benzyl 3-chloro-4-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 3-chloro-4-hydroxybenzoate
PubChem CID54290465
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Namebenzyl 3-chloro-4-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11ClO3/c15-12-8-11(6-7-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyRXDJDBKNFDLEOQ-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-hydroxybenzoate
CID 11736317
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
CID 139915014
benzyl benzoate
CID 2345
benzyl 2,6-dichloro-3-hydroxybenzoate
CID 23353668
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
2-phenylbut-3-enyl 3-chloro-4-hydroxybenzoate
CID 19769137
2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
CID 140983421
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092
[3-[(3-amino-4-chlorobenzoyl)oxymethyl]phenyl]methyl 3-amino-4-chlorobenzoate
CID 16578140

Frequently Asked Questions

What is the IUPAC name of benzyl 3-chloro-4-hydroxybenzoate?
The IUPAC name of benzyl 3-chloro-4-hydroxybenzoate (CID 54290465) is benzyl 3-chloro-4-hydroxybenzoate.
What is the SMILES notation for benzyl 3-chloro-4-hydroxybenzoate?
The canonical SMILES for benzyl 3-chloro-4-hydroxybenzoate is O=C(OCc1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of benzyl 3-chloro-4-hydroxybenzoate?
The InChIKey is RXDJDBKNFDLEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-12-8-11(6-7-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of benzyl 3-chloro-4-hydroxybenzoate?
benzyl 3-chloro-4-hydroxybenzoate has a molecular weight of 262.69 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-chloro-4-hydroxybenzoate is sourced from PubChem (CID 54290465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).