1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene

C14H12ClFO — CID 20754499

IUPAC1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene
SMILESCc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFO/c1-10-5-7-11(8-6-10)17-9-12-13(15)3-2-4-14(12)16/h2-8H,9H2,1H3
InChIKeyIPVWLRTUNGXSAZ-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.37
Rot. Bonds3

About 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene

1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene (PubChem CID 20754499) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene
PubChem CID20754499
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene
SMILESCc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFO/c1-10-5-7-11(8-6-10)17-9-12-13(15)3-2-4-14(12)16/h2-8H,9H2,1H3
InChIKeyIPVWLRTUNGXSAZ-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene (CID 20754499) is 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene is Cc1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene?
The InChIKey is IPVWLRTUNGXSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-10-5-7-11(8-6-10)17-9-12-13(15)3-2-4-14(12)16/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene?
1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene has a molecular weight of 250.70 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[(4-methylphenoxy)methyl]benzene is sourced from PubChem (CID 20754499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).