1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene

C15H14ClFO — CID 60627601

IUPAC1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
SMILESCc1ccc(OCc2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C15H14ClFO/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(17)8-14(12)16/h3-8H,9H2,1-2H3
InChIKeyXNLPNXJJPVEIOH-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.67
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene

1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene (PubChem CID 60627601) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
PubChem CID60627601
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
SMILESCc1ccc(OCc2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C15H14ClFO/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(17)8-14(12)16/h3-8H,9H2,1-2H3
InChIKeyXNLPNXJJPVEIOH-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
3-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 106868906
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63638938
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 102616489
1-[(2-chloro-4-methylphenyl)methoxy]-4-(3-chloroprop-1-ynyl)-2-methylbenzene
CID 106868926
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene (CID 60627601) is 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene is Cc1ccc(OCc2ccc(F)cc2Cl)c(C)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene?
The InChIKey is XNLPNXJJPVEIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-10-3-6-15(11(2)7-10)18-9-12-4-5-13(17)8-14(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene?
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene has a molecular weight of 264.73 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 60627601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).