4-phenoxybenzoic acid;hydrochloride

C13H11ClO3 — CID 70385625

IUPAC4-phenoxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H10O3.ClH/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;/h1-9H,(H,14,15);1H
InChIKeyZJARCXJVUWYDPB-UHFFFAOYSA-N
MW250.68 g/mol
LogP3.60
Rot. Bonds3

About 4-phenoxybenzoic acid;hydrochloride

4-phenoxybenzoic acid;hydrochloride (PubChem CID 70385625) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 4-phenoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name4-phenoxybenzoic acid;hydrochloride
PubChem CID70385625
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name4-phenoxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H10O3.ClH/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;/h1-9H,(H,14,15);1H
InChIKeyZJARCXJVUWYDPB-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
biphenylene-2,6-dicarboxylic acid;phenoxybenzene;hydrochloride
CID 70598821
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
4-phenoxybenzoyl bromide
CID 116924551
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
4-(4-acetylphenoxy)benzoic acid
CID 60723234
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
4-[4-[4-(4-carboxyphenoxy)phenyl]sulfanylphenoxy]benzoic acid
CID 14177975
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089

Frequently Asked Questions

What is the IUPAC name of 4-phenoxybenzoic acid;hydrochloride?
The IUPAC name of 4-phenoxybenzoic acid;hydrochloride (CID 70385625) is 4-phenoxybenzoic acid;hydrochloride.
What is the SMILES notation for 4-phenoxybenzoic acid;hydrochloride?
The canonical SMILES for 4-phenoxybenzoic acid;hydrochloride is Cl.O=C(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxybenzoic acid;hydrochloride?
The InChIKey is ZJARCXJVUWYDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.ClH/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;/h1-9H,(H,14,15);1H.
What are the key properties of 4-phenoxybenzoic acid;hydrochloride?
4-phenoxybenzoic acid;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybenzoic acid;hydrochloride is sourced from PubChem (CID 70385625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).