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

C15H13ClF2O2 — CID 82919668

IUPAC2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2ccc(F)c(F)c2)c(CCl)c1
InChIInChI=1S/C15H13ClF2O2/c1-19-12-3-5-15(11(7-12)8-16)20-9-10-2-4-13(17)14(18)6-10/h2-7H,8-9H2,1H3
InChIKeySZMQLRWEDGBOLM-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.29
Rot. Bonds5

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

2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene (PubChem CID 82919668) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
PubChem CID82919668
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2ccc(F)c(F)c2)c(CCl)c1
InChIInChI=1S/C15H13ClF2O2/c1-19-12-3-5-15(11(7-12)8-16)20-9-10-2-4-13(17)14(18)6-10/h2-7H,8-9H2,1H3
InChIKeySZMQLRWEDGBOLM-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.29
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

2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
2-(chloromethyl)-1,3-difluoro-4-[(4-methoxyphenyl)methoxy]benzene
CID 118455233
[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 75519404
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene (CID 82919668) is 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene is COc1ccc(OCc2ccc(F)c(F)c2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene?
The InChIKey is SZMQLRWEDGBOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-19-12-3-5-15(11(7-12)8-16)20-9-10-2-4-13(17)14(18)6-10/h2-7H,8-9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene?
2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene has a molecular weight of 298.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(3,4-difluorophenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 82919668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).