1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene

C16H15ClF2O — CID 138646772

IUPAC1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cc(Cl)cc(C(F)F)c2)cc1
InChIInChI=1S/C16H15ClF2O/c1-20-15-6-4-11(5-7-15)2-3-12-8-13(16(18)19)10-14(17)9-12/h4-10,16H,2-3H2,1H3
InChIKeyHSSFEPFTNMXTLL-UHFFFAOYSA-N
MW296.74 g/mol
LogP5.07
Rot. Bonds5

About 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene

1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene (PubChem CID 138646772) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene
PubChem CID138646772
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cc(Cl)cc(C(F)F)c2)cc1
InChIInChI=1S/C16H15ClF2O/c1-20-15-6-4-11(5-7-15)2-3-12-8-13(16(18)19)10-14(17)9-12/h4-10,16H,2-3H2,1H3
InChIKeyHSSFEPFTNMXTLL-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.74
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
1-(bromomethyl)-3-chloro-5-(difluoromethyl)benzene
CID 178067006
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43760298
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
CID 10358281
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene (CID 138646772) is 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene is COc1ccc(CCc2cc(Cl)cc(C(F)F)c2)cc1.
What is the InChIKey of 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is HSSFEPFTNMXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c1-20-15-6-4-11(5-7-15)2-3-12-8-13(16(18)19)10-14(17)9-12/h4-10,16H,2-3H2,1H3.
What are the key properties of 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene?
1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 296.74 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 138646772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).