4-chloro-2-diphenylphosphanylphenol

C18H14ClOP — CID 88897558

IUPAC4-chloro-2-diphenylphosphanylphenol
SMILESOc1ccc(Cl)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14ClOP/c19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H
InChIKeyGPEMTOBAOKHKRO-UHFFFAOYSA-N
MW312.74 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-2-diphenylphosphanylphenol

4-chloro-2-diphenylphosphanylphenol (PubChem CID 88897558) has the molecular formula C18H14ClOP and a molecular weight of 312.74 g/mol. Its IUPAC name is 4-chloro-2-diphenylphosphanylphenol.

Molecular Properties

Compound Name4-chloro-2-diphenylphosphanylphenol
PubChem CID88897558
Molecular FormulaC18H14ClOP
Molecular Weight312.74 g/mol
Exact Mass312.05
IUPAC Name4-chloro-2-diphenylphosphanylphenol
SMILESOc1ccc(Cl)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14ClOP/c19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H
InChIKeyGPEMTOBAOKHKRO-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-chloro-2-diphenylphosphanylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-2-methylphenyl)-diphenylphosphane
CID 100913649
5-diphenylphosphanylbenzene-1,2,3,4-tetrol
CID 141102911
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
bis(4-chloro-2-methylphenyl)-phenylphosphane
CID 59575015
2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
CID 140560518
2,4-dichlorophenol;phenol
CID 67451432
2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid
CID 175823616
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
4-diphenylphosphanyl-3-hydroxybenzoic acid
CID 101171286
2-benzhydrylsulfanyl-4-chlorophenol
CID 139616974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-diphenylphosphanylphenol?
The IUPAC name of 4-chloro-2-diphenylphosphanylphenol (CID 88897558) is 4-chloro-2-diphenylphosphanylphenol.
What is the SMILES notation for 4-chloro-2-diphenylphosphanylphenol?
The canonical SMILES for 4-chloro-2-diphenylphosphanylphenol is Oc1ccc(Cl)cc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-chloro-2-diphenylphosphanylphenol?
The InChIKey is GPEMTOBAOKHKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClOP/c19-14-11-12-17(20)18(13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H.
What are the key properties of 4-chloro-2-diphenylphosphanylphenol?
4-chloro-2-diphenylphosphanylphenol has a molecular weight of 312.74 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-diphenylphosphanylphenol is sourced from PubChem (CID 88897558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).