(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane

C21H21OP — CID 174887519

IUPAC(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
SMILESCOc1ccc(CP(c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C21H21OP/c1-17-8-6-7-11-21(17)23(20-9-4-3-5-10-20)16-18-12-14-19(22-2)15-13-18/h3-15H,16H2,1-2H3
InChIKeyDROYNTOLYYEEFK-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.64
Rot. Bonds5

About (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane

(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane (PubChem CID 174887519) has the molecular formula C21H21OP and a molecular weight of 320.37 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
PubChem CID174887519
Molecular FormulaC21H21OP
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
SMILESCOc1ccc(CP(c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C21H21OP/c1-17-8-6-7-11-21(17)23(20-9-4-3-5-10-20)16-18-12-14-19(22-2)15-13-18/h3-15H,16H2,1-2H3
InChIKeyDROYNTOLYYEEFK-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.64
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

benzyl-bis(4-methoxyphenyl)phosphane
CID 19835460
[(4-methoxyphenyl)methyl-phenylphosphanyl]methanamine
CID 151443600
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 25059236
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302
benzyl-bis(2,3-dimethylphenyl)phosphane
CID 118892814
methoxy-(2-methylphenyl)-phenylphosphane
CID 151818468
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
(2,6-dimethylphenyl)methyl-diphenylphosphane
CID 130461808
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane?
The IUPAC name of (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane (CID 174887519) is (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane.
What is the SMILES notation for (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane?
The canonical SMILES for (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane is COc1ccc(CP(c2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane?
The InChIKey is DROYNTOLYYEEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21OP/c1-17-8-6-7-11-21(17)23(20-9-4-3-5-10-20)16-18-12-14-19(22-2)15-13-18/h3-15H,16H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane?
(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane has a molecular weight of 320.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane is sourced from PubChem (CID 174887519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).