4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene

C15H14ClFO2 — CID 29053593

IUPAC4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
SMILESCOc1cc(CCl)ccc1OCc1cccc(F)c1
InChIInChI=1S/C15H14ClFO2/c1-18-15-8-11(9-16)5-6-14(15)19-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3
InChIKeyBQUVUZPMBKKQHC-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.15
Rot. Bonds5

About 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene

4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene (PubChem CID 29053593) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
PubChem CID29053593
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
SMILESCOc1cc(CCl)ccc1OCc1cccc(F)c1
InChIInChI=1S/C15H14ClFO2/c1-18-15-8-11(9-16)5-6-14(15)19-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3
InChIKeyBQUVUZPMBKKQHC-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-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]aniline
CID 3348285
(1R)-1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931656
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
3-chloro-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methylaniline
CID 126115607
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
(NZ)-N-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5408753
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-N-methylacetamide
CID 59596835
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
1-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385669

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene?
The IUPAC name of 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene (CID 29053593) is 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene?
The canonical SMILES for 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene is COc1cc(CCl)ccc1OCc1cccc(F)c1.
What is the InChIKey of 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene?
The InChIKey is BQUVUZPMBKKQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-18-15-8-11(9-16)5-6-14(15)19-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene?
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene 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)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene is sourced from PubChem (CID 29053593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).