(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone

C14H14O2 — CID 114970147

IUPAC(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cccc(C)c2C)co1
InChIInChI=1S/C14H14O2/c1-9-5-4-6-13(11(9)3)14(15)12-7-10(2)16-8-12/h4-8H,1-3H3
InChIKeyPXOINEHJUYDNBX-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.44
Rot. Bonds2

About (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone

(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 114970147) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
PubChem CID114970147
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cccc(C)c2C)co1
InChIInChI=1S/C14H14O2/c1-9-5-4-6-13(11(9)3)14(15)12-7-10(2)16-8-12/h4-8H,1-3H3
InChIKeyPXOINEHJUYDNBX-UHFFFAOYSA-N
XLogP3.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
4-(2-methylbenzoyl)furan-2-carboxylic acid
CID 84726249
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
(4-bromophenyl)-(5-methylfuran-3-yl)methanone
CID 114819423

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone (CID 114970147) is (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2cccc(C)c2C)co1.
What is the InChIKey of (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is PXOINEHJUYDNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-5-4-6-13(11(9)3)14(15)12-7-10(2)16-8-12/h4-8H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone?
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 214.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114970147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).