4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene

C15H14ClFO2 — CID 28946582

IUPAC4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2ccc(CCl)cc2F)c1
InChIInChI=1S/C15H14ClFO2/c1-18-13-4-2-3-12(7-13)10-19-15-6-5-11(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeySEPMLOSTUHQXNY-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.15
Rot. Bonds5

About 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene

4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene (PubChem CID 28946582) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
PubChem CID28946582
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2ccc(CCl)cc2F)c1
InChIInChI=1S/C15H14ClFO2/c1-18-13-4-2-3-12(7-13)10-19-15-6-5-11(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeySEPMLOSTUHQXNY-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
CID 82919668
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
4-[3-fluoro-4-[[3-(4-methoxyphenoxy)phenyl]methoxy]phenyl]butan-2-one
CID 59760076
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene (CID 28946582) is 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene is COc1cccc(COc2ccc(CCl)cc2F)c1.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene?
The InChIKey is SEPMLOSTUHQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-18-13-4-2-3-12(7-13)10-19-15-6-5-11(9-16)8-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene?
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene has a molecular weight of 280.73 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 28946582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).