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

C14H12ClFO — CID 60627894

IUPAC1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H12ClFO/c1-10-4-2-5-11(8-10)17-9-12-13(15)6-3-7-14(12)16/h2-8H,9H2,1H3
InChIKeyDJDRUSUENQMUSL-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.37
Rot. Bonds3

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

1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene (PubChem CID 60627894) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
PubChem CID60627894
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H12ClFO/c1-10-4-2-5-11(8-10)17-9-12-13(15)6-3-7-14(12)16/h2-8H,9H2,1H3
InChIKeyDJDRUSUENQMUSL-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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Related Compounds

5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
N-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 130192950
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
N-[(E)-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340711
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
7-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 63549722
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475
1-chloro-2-[[3-(4-chlorobut-1-ynyl)phenoxy]methyl]-3-fluorobenzene
CID 63418783
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile
CID 50871381
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene (CID 60627894) is 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene is Cc1cccc(OCc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene?
The InChIKey is DJDRUSUENQMUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-10-4-2-5-11(8-10)17-9-12-13(15)6-3-7-14(12)16/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene?
1-chloro-3-fluoro-2-[(3-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-[(3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 60627894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).