(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C15H13BrO2 — CID 107126854

IUPAC(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccoc1Br)C1CCc2ccccc2C1
InChIInChI=1S/C15H13BrO2/c16-15-13(7-8-18-15)14(17)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2
InChIKeyRRCUPUGEHLPWDY-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.03
Rot. Bonds2

About (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126854) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126854
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccoc1Br)C1CCc2ccccc2C1
InChIInChI=1S/C15H13BrO2/c16-15-13(7-8-18-15)14(17)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2
InChIKeyRRCUPUGEHLPWDY-UHFFFAOYSA-N
XLogP4.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-cyclopentylmethanone
CID 106856555
(2-bromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126828
1,3-oxazol-2-yl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
CID 52951453
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
CID 106899069
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126449
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
(2-bromofuran-3-yl)-(2-phenylcyclopropyl)methanone
CID 106856807
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126854) is (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(c1ccoc1Br)C1CCc2ccccc2C1.
What is the InChIKey of (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is RRCUPUGEHLPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c16-15-13(7-8-18-15)14(17)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2.
What are the key properties of (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 305.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).