6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one

C25H25FO2 — CID 161222823

IUPAC6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
SMILESCOc1ccc(CCC(=O)CCCc2ccc(-c3ccccc3F)cc2)cc1
InChIInChI=1S/C25H25FO2/c1-28-23-17-12-20(13-18-23)11-16-22(27)6-4-5-19-9-14-21(15-10-19)24-7-2-3-8-25(24)26/h2-3,7-10,12-15,17-18H,4-6,11,16H2,1H3
InChIKeyUXSYVVHTFRFFJP-UHFFFAOYSA-N
MW376.47 g/mol
LogP6.03
Rot. Bonds9

About 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one

6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one (PubChem CID 161222823) has the molecular formula C25H25FO2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
PubChem CID161222823
Molecular FormulaC25H25FO2
Molecular Weight376.47 g/mol
Exact Mass376.18
IUPAC Name6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
SMILESCOc1ccc(CCC(=O)CCCc2ccc(-c3ccccc3F)cc2)cc1
InChIInChI=1S/C25H25FO2/c1-28-23-17-12-20(13-18-23)11-16-22(27)6-4-5-19-9-14-21(15-10-19)24-7-2-3-8-25(24)26/h2-3,7-10,12-15,17-18H,4-6,11,16H2,1H3
InChIKeyUXSYVVHTFRFFJP-UHFFFAOYSA-N
XLogP6.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one
CID 157389572
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584
5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one
CID 157494437
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
(Z)-1-(4-methoxyphenyl)non-7-en-3-one
CID 102031685
ethyl 3-[4-[[2-fluoro-6-(4-methoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 90018758
1-(5-chloro-2-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 103052515
4-[4-(2-fluorophenyl)phenyl]-N-(furan-2-yl)butanamide
CID 139380465
4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
CID 138674464

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one?
The IUPAC name of 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one (CID 161222823) is 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one is COc1ccc(CCC(=O)CCCc2ccc(-c3ccccc3F)cc2)cc1.
What is the InChIKey of 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one?
The InChIKey is UXSYVVHTFRFFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO2/c1-28-23-17-12-20(13-18-23)11-16-22(27)6-4-5-19-9-14-21(15-10-19)24-7-2-3-8-25(24)26/h2-3,7-10,12-15,17-18H,4-6,11,16H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one?
6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one has a molecular weight of 376.47 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one is sourced from PubChem (CID 161222823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).