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

C16H14BrFO2 — CID 106647344

IUPAC(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C16H14BrFO2/c1-2-9-20-12-6-3-5-11(10-12)16(19)13-7-4-8-14(17)15(13)18/h3-8,10H,2,9H2,1H3
InChIKeyANHDSYUGJDILGF-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.61
Rot. Bonds5

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

(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone (PubChem CID 106647344) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
PubChem CID106647344
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C16H14BrFO2/c1-2-9-20-12-6-3-5-11(10-12)16(19)13-7-4-8-14(17)15(13)18/h3-8,10H,2,9H2,1H3
InChIKeyANHDSYUGJDILGF-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-propoxyphenyl)methanone
CID 107957126
(3-bromo-2-fluorophenyl)-(4-butoxyphenyl)methanone
CID 106647389
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(2,5-dibromothiophen-3-yl)-(3-propoxyphenyl)methanone
CID 63491827
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(2-bromo-5-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 115791328
3-propoxybenzamide
CID 22311435
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone (CID 106647344) is (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)c2cccc(Br)c2F)c1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone?
The InChIKey is ANHDSYUGJDILGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-2-9-20-12-6-3-5-11(10-12)16(19)13-7-4-8-14(17)15(13)18/h3-8,10H,2,9H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone?
(3-bromo-2-fluorophenyl)-(3-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)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 106647344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).