(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone

C18H19FO2 — CID 63492657

IUPAC(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H19FO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)15-10-11-17(21-2)16(19)12-15/h6-12H,3-5H2,1-2H3
InChIKeyDMINHTFCHLHVBP-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.41
Rot. Bonds6

About (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone

(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 63492657) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID63492657
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCCCc1ccc(C(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H19FO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)15-10-11-17(21-2)16(19)12-15/h6-12H,3-5H2,1-2H3
InChIKeyDMINHTFCHLHVBP-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
[2-(4-butylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702354
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
CID 158011620
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
(4-butylphenyl) 3-fluoro-4-pentoxybenzoate
CID 71386435
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone (CID 63492657) is (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone is CCCCc1ccc(C(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is DMINHTFCHLHVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)15-10-11-17(21-2)16(19)12-15/h6-12H,3-5H2,1-2H3.
What are the key properties of (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 286.35 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 63492657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).