(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone

C15H16O2 — CID 65151683

IUPAC(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C15H16O2/c1-9-5-7-13(8-6-9)15(16)14-10(2)11(3)17-12(14)4/h5-8H,1-4H3
InChIKeyKWHJQZMYJUNFBO-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.74
Rot. Bonds2

About (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone

(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151683) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151683
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1ccc(C(=O)c2c(C)oc(C)c2C)cc1
InChIInChI=1S/C15H16O2/c1-9-5-7-13(8-6-9)15(16)14-10(2)11(3)17-12(14)4/h5-8H,1-4H3
InChIKeyKWHJQZMYJUNFBO-UHFFFAOYSA-N
XLogP3.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 107291275
(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151835
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
(4,5-dimethyl-2-phenylthiophen-3-yl)-(4-methylphenyl)methanone
CID 132519427
(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80532415
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 79997136
(4-methylphenyl)-trimethylsilylmethanone
CID 3464459
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151683) is (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1ccc(C(=O)c2c(C)oc(C)c2C)cc1.
What is the InChIKey of (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is KWHJQZMYJUNFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-5-7-13(8-6-9)15(16)14-10(2)11(3)17-12(14)4/h5-8H,1-4H3.
What are the key properties of (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).