2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene

C15H15ClO2 — CID 61083516

IUPAC2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)c2ccccc2)c1
InChIInChI=1S/C15H15ClO2/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyHIASLNXRWWZDPL-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.03
Rot. Bonds4

About 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene

2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene (PubChem CID 61083516) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
PubChem CID61083516
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Cl)c2ccccc2)c1
InChIInChI=1S/C15H15ClO2/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyHIASLNXRWWZDPL-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
1-[chloro(phenyl)methyl]-2,4,5-trimethoxybenzene
CID 61083307
2-[chloro-(4-propylphenyl)methyl]-1,4-dimethoxybenzene
CID 63432243
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
4-bromo-2-[chloro-(3-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427198
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene
CID 168831810
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
1-[chloro(phenyl)methyl]-2-ethyl-3-methoxybenzene
CID 150862192
2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene
CID 70548044

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene (CID 61083516) is 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Cl)c2ccccc2)c1.
What is the InChIKey of 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene?
The InChIKey is HIASLNXRWWZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-17-12-8-9-14(18-2)13(10-12)15(16)11-6-4-3-5-7-11/h3-10,15H,1-2H3.
What are the key properties of 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene?
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene has a molecular weight of 262.74 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 61083516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).