1-fluoro-4-(4-methoxyphenyl)benzene

C13H11FO — CID 2758997

IUPAC1-fluoro-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKeyHPHJIGXCDCZLTP-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.50
Rot. Bonds2

About 1-fluoro-4-(4-methoxyphenyl)benzene

1-fluoro-4-(4-methoxyphenyl)benzene (PubChem CID 2758997) has the molecular formula C13H11FO and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-fluoro-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-methoxyphenyl)benzene
PubChem CID2758997
Molecular FormulaC13H11FO
Molecular Weight202.23 g/mol
Exact Mass202.08
IUPAC Name1-fluoro-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKeyHPHJIGXCDCZLTP-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Methoxychlor
CID 4115
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
3-Methoxytoluene
CID 7530
Terameprocol
CID 476861
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
4-Methoxybiphenyl
CID 11943
2-Ethoxynaphthalene
CID 7129

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-methoxyphenyl)benzene?
The IUPAC name of 1-fluoro-4-(4-methoxyphenyl)benzene (CID 2758997) is 1-fluoro-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-(4-methoxyphenyl)benzene?
The InChIKey is HPHJIGXCDCZLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3.
What are the key properties of 1-fluoro-4-(4-methoxyphenyl)benzene?
1-fluoro-4-(4-methoxyphenyl)benzene has a molecular weight of 202.23 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 2758997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).