2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane

C20H20ClO2P — CID 175553236

IUPAC2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1Cl.Pc1ccccc1
InChIInChI=1S/C14H13ClO2.C6H7P/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15;7-6-4-2-1-3-5-6/h3-9H,1-2H3;1-5H,7H2
InChIKeyMLLPLISWRGIHPZ-UHFFFAOYSA-N
MW358.81 g/mol
LogP5.21
Rot. Bonds3

About 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane

2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane (PubChem CID 175553236) has the molecular formula C20H20ClO2P and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
PubChem CID175553236
Molecular FormulaC20H20ClO2P
Molecular Weight358.81 g/mol
Exact Mass358.09
IUPAC Name2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1Cl.Pc1ccccc1
InChIInChI=1S/C14H13ClO2.C6H7P/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15;7-6-4-2-1-3-5-6/h3-9H,1-2H3;1-5H,7H2
InChIKeyMLLPLISWRGIHPZ-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.81
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
[2-(2,6-dimethoxyphenyl)-6-phosphanylphenyl]phosphane
CID 141349618
1-chloro-2-methoxybenzene
CID 13011
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130
1,5-dimethoxyfluoren-9-one
CID 19594782
[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
CID 71713664
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane?
The IUPAC name of 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane (CID 175553236) is 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane is COc1cccc(OC)c1-c1ccccc1Cl.Pc1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane?
The InChIKey is MLLPLISWRGIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2.C6H7P/c1-16-12-8-5-9-13(17-2)14(12)10-6-3-4-7-11(10)15;7-6-4-2-1-3-5-6/h3-9H,1-2H3;1-5H,7H2.
What are the key properties of 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane?
2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane has a molecular weight of 358.81 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane is sourced from PubChem (CID 175553236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).