2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene

C20H17ClO2 — CID 54377067

IUPAC2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
SMILESCc1cccc(Oc2ccccc2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClO2/c1-15-6-5-9-19(23-18-7-3-2-4-8-18)20(15)22-14-16-10-12-17(21)13-11-16/h2-13H,14H2,1H3
InChIKeyUXGOYJFYTLJBAG-UHFFFAOYSA-N
MW324.81 g/mol
LogP6.02
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene

2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene (PubChem CID 54377067) has the molecular formula C20H17ClO2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
PubChem CID54377067
Molecular FormulaC20H17ClO2
Molecular Weight324.81 g/mol
Exact Mass324.09
IUPAC Name2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
SMILESCc1cccc(Oc2ccccc2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClO2/c1-15-6-5-9-19(23-18-7-3-2-4-8-18)20(15)22-14-16-10-12-17(21)13-11-16/h2-13H,14H2,1H3
InChIKeyUXGOYJFYTLJBAG-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene 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

1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
2-[(4-chlorophenyl)methoxy]-3-methylbenzonitrile
CID 107107572
1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene
CID 67084607
3-bromo-2-(3-methyl-2-phenylmethoxyphenoxy)benzaldehyde
CID 156873184
phenyl 4-[(2,6-dimethylphenoxy)methyl]benzoate
CID 925914
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864
ethane;1-methyl-2-phenoxybenzene
CID 90950955
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
2-(4-chlorophenoxy)-6-methylbenzoic acid
CID 53418754

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene (CID 54377067) is 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene is Cc1cccc(Oc2ccccc2)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene?
The InChIKey is UXGOYJFYTLJBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO2/c1-15-6-5-9-19(23-18-7-3-2-4-8-18)20(15)22-14-16-10-12-17(21)13-11-16/h2-13H,14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene?
2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene has a molecular weight of 324.81 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene is sourced from PubChem (CID 54377067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).