2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid

C15H13ClO4 — CID 106500475

IUPAC2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2ccc(CO)cc2)ccc1Cl
InChIInChI=1S/C15H13ClO4/c16-14-6-5-12(7-13(14)15(18)19)20-9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2,(H,18,19)
InChIKeyXRSRCMBCEVRDJD-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.11
Rot. Bonds5

About 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid

2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid (PubChem CID 106500475) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
PubChem CID106500475
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2ccc(CO)cc2)ccc1Cl
InChIInChI=1S/C15H13ClO4/c16-14-6-5-12(7-13(14)15(18)19)20-9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2,(H,18,19)
InChIKeyXRSRCMBCEVRDJD-UHFFFAOYSA-N
XLogP3.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-chloro-5-(4-hydroxybutoxy)benzoic acid
CID 106500457
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
5-[(4-chlorophenyl)methoxy]-2-nitrobenzoic acid
CID 65125040
2-chloro-5-(cyanomethoxy)benzoic acid
CID 106500563
5-(3-aminopropoxy)-2-chlorobenzoic acid
CID 106500800
ethane;4-phenylmethoxyphthalic acid
CID 90802135
4-[[4-(4-carboxyphenoxy)phenyl]methoxy]phthalic acid
CID 141018936
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid?
The IUPAC name of 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid (CID 106500475) is 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid is O=C(O)c1cc(OCc2ccc(CO)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid?
The InChIKey is XRSRCMBCEVRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c16-14-6-5-12(7-13(14)15(18)19)20-9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid?
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 106500475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).