2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene

C14H12ClFO2 — CID 112788881

IUPAC2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H12ClFO2/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(16)8-14(10)15/h2-8H,9H2,1H3
InChIKeyDICMVKCSCACSMU-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene

2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene (PubChem CID 112788881) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
PubChem CID112788881
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H12ClFO2/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(16)8-14(10)15/h2-8H,9H2,1H3
InChIKeyDICMVKCSCACSMU-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
CID 2018267
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 4719716
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221271
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene?
The IUPAC name of 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene (CID 112788881) is 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene is COc1ccc(OCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene?
The InChIKey is DICMVKCSCACSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(16)8-14(10)15/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene?
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene has a molecular weight of 266.70 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 112788881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).