1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene

C15H14ClFO — CID 107888358

IUPAC1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
SMILESCc1cc(C)cc(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFO/c1-10-5-11(2)7-13(6-10)18-9-12-3-4-14(16)15(17)8-12/h3-8H,9H2,1-2H3
InChIKeyFTQVWZZCRUEJQP-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.67
Rot. Bonds3

About 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene

1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene (PubChem CID 107888358) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
PubChem CID107888358
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
SMILESCc1cc(C)cc(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFO/c1-10-5-11(2)7-13(6-10)18-9-12-3-4-14(16)15(17)8-12/h3-8H,9H2,1-2H3
InChIKeyFTQVWZZCRUEJQP-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

4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 106698232
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
CID 107888398
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
(4-chloro-3-fluorophenyl)methyl 3-amino-5-methylbenzoate
CID 107885829
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene (CID 107888358) is 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene is Cc1cc(C)cc(OCc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene?
The InChIKey is FTQVWZZCRUEJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-10-5-11(2)7-13(6-10)18-9-12-3-4-14(16)15(17)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene?
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene 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-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene is sourced from PubChem (CID 107888358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).