1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene

C15H14ClFO — CID 63016090

IUPAC1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
SMILESCOc1cccc(C(Cl)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H14ClFO/c1-18-14-7-3-5-12(10-14)15(16)9-11-4-2-6-13(17)8-11/h2-8,10,15H,9H2,1H3
InChIKeyQAJCYVHMMZITQN-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.36
Rot. Bonds4

About 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene

1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene (PubChem CID 63016090) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
PubChem CID63016090
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
SMILESCOc1cccc(C(Cl)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H14ClFO/c1-18-14-7-3-5-12(10-14)15(16)9-11-4-2-6-13(17)8-11/h2-8,10,15H,9H2,1H3
InChIKeyQAJCYVHMMZITQN-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.36
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

2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
4-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63543522
5-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1,3-dimethylbenzene
CID 65296547
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
CID 63432780
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
2-[1-chloro-2-(3-methoxyphenyl)ethyl]-6-fluoro-1-benzothiophene
CID 81105966
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
1-bromo-2-chloro-4-[1-chloro-2-(3-methoxyphenyl)ethyl]benzene
CID 81307279

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene?
The IUPAC name of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene (CID 63016090) is 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene is COc1cccc(C(Cl)Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene?
The InChIKey is QAJCYVHMMZITQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-18-14-7-3-5-12(10-14)15(16)9-11-4-2-6-13(17)8-11/h2-8,10,15H,9H2,1H3.
What are the key properties of 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene?
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene has a molecular weight of 264.73 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene is sourced from PubChem (CID 63016090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).