2-fluoro-1-methoxy-4-(phenoxymethyl)benzene

C14H13FO2 — CID 60627904

IUPAC2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
SMILESCOc1ccc(COc2ccccc2)cc1F
InChIInChI=1S/C14H13FO2/c1-16-14-8-7-11(9-13(14)15)10-17-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyDKCAVKFBKQPRDX-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.41
Rot. Bonds4

About 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene

2-fluoro-1-methoxy-4-(phenoxymethyl)benzene (PubChem CID 60627904) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
PubChem CID60627904
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
SMILESCOc1ccc(COc2ccccc2)cc1F
InChIInChI=1S/C14H13FO2/c1-16-14-8-7-11(9-13(14)15)10-17-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyDKCAVKFBKQPRDX-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-1,3-benzothiazole
CID 7919383
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene (CID 60627904) is 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene is COc1ccc(COc2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene?
The InChIKey is DKCAVKFBKQPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-16-14-8-7-11(9-13(14)15)10-17-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene?
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene has a molecular weight of 232.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-(phenoxymethyl)benzene is sourced from PubChem (CID 60627904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).