2,3-difluoro-1-methyl-4-phenylmethoxybenzene

C14H12F2O — CID 57470603

IUPAC2,3-difluoro-1-methyl-4-phenylmethoxybenzene
SMILESCc1ccc(OCc2ccccc2)c(F)c1F
InChIInChI=1S/C14H12F2O/c1-10-7-8-12(14(16)13(10)15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyZGWUMWFWFIOPBK-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.85
Rot. Bonds3

About 2,3-difluoro-1-methyl-4-phenylmethoxybenzene

2,3-difluoro-1-methyl-4-phenylmethoxybenzene (PubChem CID 57470603) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-phenylmethoxybenzene
PubChem CID57470603
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2,3-difluoro-1-methyl-4-phenylmethoxybenzene
SMILESCc1ccc(OCc2ccccc2)c(F)c1F
InChIInChI=1S/C14H12F2O/c1-10-7-8-12(14(16)13(10)15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyZGWUMWFWFIOPBK-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-(2-fluoro-3-methyl-6-phenylmethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164890927
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
2,3-difluoro-1-methoxy-4-[(4-methylphenyl)methoxy]benzene
CID 123795943
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097
ethyl 6-acetyl-2-fluoro-3-phenylmethoxybenzoate
CID 91864113
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-phenylmethoxybenzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-phenylmethoxybenzene (CID 57470603) is 2,3-difluoro-1-methyl-4-phenylmethoxybenzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-phenylmethoxybenzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-phenylmethoxybenzene is Cc1ccc(OCc2ccccc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-phenylmethoxybenzene?
The InChIKey is ZGWUMWFWFIOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-10-7-8-12(14(16)13(10)15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2,3-difluoro-1-methyl-4-phenylmethoxybenzene?
2,3-difluoro-1-methyl-4-phenylmethoxybenzene has a molecular weight of 234.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-phenylmethoxybenzene is sourced from PubChem (CID 57470603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).