1-[chloro(phenyl)methyl]-4-methoxybenzene

C14H13ClO — CID 522258

IUPAC1-[chloro(phenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccccc2)cc1
InChIInChI=1S/C14H13ClO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyFKRXYCHXGNKYPV-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.02
Rot. Bonds3

About 1-[chloro(phenyl)methyl]-4-methoxybenzene

1-[chloro(phenyl)methyl]-4-methoxybenzene (PubChem CID 522258) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-[chloro(phenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[chloro(phenyl)methyl]-4-methoxybenzene
PubChem CID522258
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-[chloro(phenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccccc2)cc1
InChIInChI=1S/C14H13ClO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyFKRXYCHXGNKYPV-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Methoxychlor
CID 4115
Chlorotrianisene
CID 11289
4-Methylanisole
CID 7731
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
4-Methoxybiphenyl
CID 11943
2,4-Dimethylanisole
CID 81221
4-Methoxystyrene
CID 12507
1-(Cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-Ethyl-4-methoxybenzene
CID 73690

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(phenyl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[chloro(phenyl)methyl]-4-methoxybenzene (CID 522258) is 1-[chloro(phenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[chloro(phenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[chloro(phenyl)methyl]-4-methoxybenzene is COc1ccc(C(Cl)c2ccccc2)cc1.
What is the InChIKey of 1-[chloro(phenyl)methyl]-4-methoxybenzene?
The InChIKey is FKRXYCHXGNKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,1H3.
What are the key properties of 1-[chloro(phenyl)methyl]-4-methoxybenzene?
1-[chloro(phenyl)methyl]-4-methoxybenzene has a molecular weight of 232.71 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 522258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).