1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene

C16H15ClF2O2 — CID 63017955

IUPAC1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
SMILESCOc1cccc(CC(Cl)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H15ClF2O2/c1-20-14-4-2-3-11(9-14)10-15(17)12-5-7-13(8-6-12)21-16(18)19/h2-9,15-16H,10H2,1H3
InChIKeyNVNXDXYOVXQEFS-UHFFFAOYSA-N
MW312.74 g/mol
LogP4.82
Rot. Bonds6

About 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene

1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene (PubChem CID 63017955) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
PubChem CID63017955
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
SMILESCOc1cccc(CC(Cl)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H15ClF2O2/c1-20-14-4-2-3-11(9-14)10-15(17)12-5-7-13(8-6-12)21-16(18)19/h2-9,15-16H,10H2,1H3
InChIKeyNVNXDXYOVXQEFS-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 54.82
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

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-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090
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
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943111
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
CID 63432780
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene?
The IUPAC name of 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene (CID 63017955) is 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene is COc1cccc(CC(Cl)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene?
The InChIKey is NVNXDXYOVXQEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c1-20-14-4-2-3-11(9-14)10-15(17)12-5-7-13(8-6-12)21-16(18)19/h2-9,15-16H,10H2,1H3.
What are the key properties of 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene?
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene has a molecular weight of 312.74 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene is sourced from PubChem (CID 63017955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).