2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene

C20H17FO — CID 3743776

IUPAC2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
SMILESCc1cccc(COc2ccc(-c3ccccc3)c(F)c2)c1
InChIInChI=1S/C20H17FO/c1-15-6-5-7-16(12-15)14-22-18-10-11-19(20(21)13-18)17-8-3-2-4-9-17/h2-13H,14H2,1H3
InChIKeyKDGCCZNQQSAENG-UHFFFAOYSA-N
MW292.35 g/mol
LogP5.38
Rot. Bonds4

About 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene

2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene (PubChem CID 3743776) has the molecular formula C20H17FO and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
PubChem CID3743776
Molecular FormulaC20H17FO
Molecular Weight292.35 g/mol
Exact Mass292.13
IUPAC Name2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
SMILESCc1cccc(COc2ccc(-c3ccccc3)c(F)c2)c1
InChIInChI=1S/C20H17FO/c1-15-6-5-7-16(12-15)14-22-18-10-11-19(20(21)13-18)17-8-3-2-4-9-17/h2-13H,14H2,1H3
InChIKeyKDGCCZNQQSAENG-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.35
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
2-phenyl-5-phenylmethoxyphenol
CID 123808909
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenoxy]methoxy]-1-(4-methylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-[[4-(4-methylphenyl)phenoxy]methoxy]benzene;1-methyl-4-[4-[[4-(4-methylphenyl)phenoxy]methoxy]phenyl]benzene
CID 162217694
2-methyl-7-phenylmethoxynaphthalene
CID 90146760

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene?
The IUPAC name of 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene (CID 3743776) is 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene.
What is the SMILES notation for 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene?
The canonical SMILES for 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene is Cc1cccc(COc2ccc(-c3ccccc3)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene?
The InChIKey is KDGCCZNQQSAENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO/c1-15-6-5-7-16(12-15)14-22-18-10-11-19(20(21)13-18)17-8-3-2-4-9-17/h2-13H,14H2,1H3.
What are the key properties of 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene?
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene has a molecular weight of 292.35 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene is sourced from PubChem (CID 3743776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).