(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone

C16H14BrFO2 — CID 107957126

IUPAC(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cccc(Br)c2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-2-10-20-12-8-6-11(7-9-12)16(19)13-4-3-5-14(17)15(13)18/h3-9H,2,10H2,1H3
InChIKeyNMVYFKTVSPOWGU-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.61
Rot. Bonds5

About (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone

(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone (PubChem CID 107957126) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
PubChem CID107957126
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cccc(Br)c2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-2-10-20-12-8-6-11(7-9-12)16(19)13-4-3-5-14(17)15(13)18/h3-9H,2,10H2,1H3
InChIKeyNMVYFKTVSPOWGU-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(4-butoxyphenyl)methanone
CID 106647389
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
CID 105097019
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone (CID 107957126) is (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cccc(Br)c2F)cc1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone?
The InChIKey is NMVYFKTVSPOWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-2-10-20-12-8-6-11(7-9-12)16(19)13-4-3-5-14(17)15(13)18/h3-9H,2,10H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone?
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone has a molecular weight of 337.19 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 107957126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).