(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone

C17H17FO3 — CID 62919038

IUPAC(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1F
InChIInChI=1S/C17H17FO3/c1-11(2)21-14-7-4-12(5-8-14)17(19)13-6-9-16(20-3)15(18)10-13/h4-11H,1-3H3
InChIKeySMDXCPCEYSVJSB-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.85
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone

(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 62919038) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID62919038
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1F
InChIInChI=1S/C17H17FO3/c1-11(2)21-14-7-4-12(5-8-14)17(19)13-6-9-16(20-3)15(18)10-13/h4-11H,1-3H3
InChIKeySMDXCPCEYSVJSB-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone (CID 62919038) is (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone is COc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is SMDXCPCEYSVJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11(2)21-14-7-4-12(5-8-14)17(19)13-6-9-16(20-3)15(18)10-13/h4-11H,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 288.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 62919038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).