bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride

C18H24ClO2P — CID 175501577

IUPACbis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride
SMILESCOc1cc(C)c(Pc2cc(C)c(OC)cc2C)cc1C.Cl
InChIInChI=1S/C18H23O2P.ClH/c1-11-9-17(13(3)7-15(11)19-5)21-18-10-12(2)16(20-6)8-14(18)4;/h7-10,21H,1-6H3;1H
InChIKeyZGIPBGOBDJXSDF-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.99
Rot. Bonds4

About bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride

bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride (PubChem CID 175501577) has the molecular formula C18H24ClO2P and a molecular weight of 338.82 g/mol. Its IUPAC name is bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride.

Molecular Properties

Compound Namebis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride
PubChem CID175501577
Molecular FormulaC18H24ClO2P
Molecular Weight338.82 g/mol
Exact Mass338.12
IUPAC Namebis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride
SMILESCOc1cc(C)c(Pc2cc(C)c(OC)cc2C)cc1C.Cl
InChIInChI=1S/C18H23O2P.ClH/c1-11-9-17(13(3)7-15(11)19-5)21-18-10-12(2)16(20-6)8-14(18)4;/h7-10,21H,1-6H3;1H
InChIKeyZGIPBGOBDJXSDF-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride 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

bis(4-methoxy-2,5-dimethylphenyl)phosphane
CID 175501578
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-(3-chloropropyl)-2,5-dimethoxy-4-methylbenzene
CID 116926660

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride?
The IUPAC name of bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride (CID 175501577) is bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride.
What is the SMILES notation for bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride?
The canonical SMILES for bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride is COc1cc(C)c(Pc2cc(C)c(OC)cc2C)cc1C.Cl.
What is the InChIKey of bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride?
The InChIKey is ZGIPBGOBDJXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P.ClH/c1-11-9-17(13(3)7-15(11)19-5)21-18-10-12(2)16(20-6)8-14(18)4;/h7-10,21H,1-6H3;1H.
What are the key properties of bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride?
bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride has a molecular weight of 338.82 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride is sourced from PubChem (CID 175501577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).