(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

C13H13BrO2 — CID 115798022

IUPAC(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESCc1ccc(Br)c(C(=O)C2=COCCC2)c1
InChIInChI=1S/C13H13BrO2/c1-9-4-5-12(14)11(7-9)13(15)10-3-2-6-16-8-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyHXDMFOVMRPNHAK-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.63
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 115798022) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID115798022
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESCc1ccc(Br)c(C(=O)C2=COCCC2)c1
InChIInChI=1S/C13H13BrO2/c1-9-4-5-12(14)11(7-9)13(15)10-3-2-6-16-8-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyHXDMFOVMRPNHAK-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylphenyl)methanone
CID 115798074
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
3,4-dihydro-2H-pyran-5-yl-(5-methyl-3-pyridinyl)methanone
CID 105127434
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 113370510
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579799
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(4-aminophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 116548854
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
3,4-dihydro-2H-pyran-5-yl-(4-methylthiadiazol-5-yl)methanone
CID 105127375
(2-bromo-5-methylphenyl)-(oxan-3-yl)methanone
CID 107138551

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 115798022) is (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is Cc1ccc(Br)c(C(=O)C2=COCCC2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is HXDMFOVMRPNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-9-4-5-12(14)11(7-9)13(15)10-3-2-6-16-8-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
(2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 281.15 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 115798022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).