2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene

C15H13ClF2O — CID 55149547

IUPAC2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
SMILESCOc1ccc(CC(Cl)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H13ClF2O/c1-19-11-7-5-10(6-8-11)9-12(16)15-13(17)3-2-4-14(15)18/h2-8,12H,9H2,1H3
InChIKeyHLIVWABHVAYCBT-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.50
Rot. Bonds4

About 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene

2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene (PubChem CID 55149547) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
PubChem CID55149547
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene
SMILESCOc1ccc(CC(Cl)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H13ClF2O/c1-19-11-7-5-10(6-8-11)9-12(16)15-13(17)3-2-4-14(15)18/h2-8,12H,9H2,1H3
InChIKeyHLIVWABHVAYCBT-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.50
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

1-chloro-2-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63520420
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427176
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63520582
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 61084057
1-chloro-2-[2-chloro-4-(4-methoxyphenyl)butyl]-3-fluorobenzene
CID 63518991
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63520593

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene (CID 55149547) is 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene is COc1ccc(CC(Cl)c2c(F)cccc2F)cc1.
What is the InChIKey of 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene?
The InChIKey is HLIVWABHVAYCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-19-11-7-5-10(6-8-11)9-12(16)15-13(17)3-2-4-14(15)18/h2-8,12H,9H2,1H3.
What are the key properties of 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene?
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene has a molecular weight of 282.72 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 55149547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).