diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride

C25H24ClOP — CID 175558658

IUPACdiphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride
SMILESCOc1ccc(-c2ccccc2)cc1.Cl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C13H12O.C12H11P.ClH/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2-10H,1H3;1-10,13H;1H
InChIKeyVVIKYHDXZBOLBU-UHFFFAOYSA-N
MW406.89 g/mol
LogP6.10
Rot. Bonds4

About diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride

diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride (PubChem CID 175558658) has the molecular formula C25H24ClOP and a molecular weight of 406.89 g/mol. Its IUPAC name is diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride.

Molecular Properties

Compound Namediphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride
PubChem CID175558658
Molecular FormulaC25H24ClOP
Molecular Weight406.89 g/mol
Exact Mass406.13
IUPAC Namediphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride
SMILESCOc1ccc(-c2ccccc2)cc1.Cl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C13H12O.C12H11P.ClH/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2-10H,1H3;1-10,13H;1H
InChIKeyVVIKYHDXZBOLBU-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-methoxy-6-phenylnaphthalene
CID 11253308
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
anisole;1,1'-biphenyl;naphthalene
CID 161250692
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride?
The IUPAC name of diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride (CID 175558658) is diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride.
What is the SMILES notation for diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride?
The canonical SMILES for diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride is COc1ccc(-c2ccccc2)cc1.Cl.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride?
The InChIKey is VVIKYHDXZBOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C12H11P.ClH/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2-10H,1H3;1-10,13H;1H.
What are the key properties of diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride?
diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;1-methoxy-4-phenylbenzene;hydrochloride is sourced from PubChem (CID 175558658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).