4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene

C14H11ClF2O — CID 82123483

IUPAC4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
SMILESCOc1ccc(CCl)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2O/c1-18-14-5-2-9(8-15)6-11(14)10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3
InChIKeyOQWSMVFIXXNOKV-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.38
Rot. Bonds3

About 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene

4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene (PubChem CID 82123483) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
PubChem CID82123483
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
SMILESCOc1ccc(CCl)cc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2O/c1-18-14-5-2-9(8-15)6-11(14)10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3
InChIKeyOQWSMVFIXXNOKV-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.38
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

4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1-methylbenzene
CID 94285527
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
CID 169189068
4-(chloromethyl)-2-(4-ethylphenyl)-1-fluorobenzene
CID 82119035
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene?
The IUPAC name of 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene (CID 82123483) is 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene?
The canonical SMILES for 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene is COc1ccc(CCl)cc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene?
The InChIKey is OQWSMVFIXXNOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-18-14-5-2-9(8-15)6-11(14)10-3-4-12(16)13(17)7-10/h2-7H,8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene?
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene has a molecular weight of 268.69 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene is sourced from PubChem (CID 82123483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).