1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene

C20H17FO — CID 123297454

IUPAC1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
SMILESCc1ccc(COc2ccccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO/c1-15-6-8-16(9-7-15)14-22-20-5-3-2-4-19(20)17-10-12-18(21)13-11-17/h2-13H,14H2,1H3
InChIKeyKQQGYCQIQUCNMT-UHFFFAOYSA-N
MW292.35 g/mol
LogP5.38
Rot. Bonds4

About 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene

1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene (PubChem CID 123297454) has the molecular formula C20H17FO and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
PubChem CID123297454
Molecular FormulaC20H17FO
Molecular Weight292.35 g/mol
Exact Mass292.13
IUPAC Name1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
SMILESCc1ccc(COc2ccccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO/c1-15-6-8-16(9-7-15)14-22-20-5-3-2-4-19(20)17-10-12-18(21)13-11-17/h2-13H,14H2,1H3
InChIKeyKQQGYCQIQUCNMT-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

5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
CID 75388829
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
3-[2-[4-[2-(4-fluorophenyl)ethyl]phenyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 139784180
(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 154814748
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
CID 2152027
5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152064

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene (CID 123297454) is 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene is Cc1ccc(COc2ccccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene?
The InChIKey is KQQGYCQIQUCNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO/c1-15-6-8-16(9-7-15)14-22-20-5-3-2-4-19(20)17-10-12-18(21)13-11-17/h2-13H,14H2,1H3.
What are the key properties of 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene?
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene 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 1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene is sourced from PubChem (CID 123297454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).