(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone

C14H13ClO2 — CID 106691062

IUPAC(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccoc2Cl)cc1C
InChIInChI=1S/C14H13ClO2/c1-8-6-10(3)12(7-9(8)2)13(16)11-4-5-17-14(11)15/h4-7H,1-3H3
InChIKeyTYHZAACOWBPUQI-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.09
Rot. Bonds2

About (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone

(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 106691062) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID106691062
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccoc2Cl)cc1C
InChIInChI=1S/C14H13ClO2/c1-8-6-10(3)12(7-9(8)2)13(16)11-4-5-17-14(11)15/h4-7H,1-3H3
InChIKeyTYHZAACOWBPUQI-UHFFFAOYSA-N
XLogP4.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
(2-chlorofuran-3-yl)-(3,4-difluorophenyl)methanone
CID 106683705
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone
CID 106691362
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone (CID 106691062) is (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccoc2Cl)cc1C.
What is the InChIKey of (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is TYHZAACOWBPUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-8-6-10(3)12(7-9(8)2)13(16)11-4-5-17-14(11)15/h4-7H,1-3H3.
What are the key properties of (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone?
(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 248.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 106691062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).