(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone

C19H18O2 — CID 43394206

IUPAC(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2oc3ccc(C)cc3c2C)c1
InChIInChI=1S/C19H18O2/c1-11-5-7-13(3)15(9-11)18(20)19-14(4)16-10-12(2)6-8-17(16)21-19/h5-10H,1-4H3
InChIKeyUWDXYRXMZVZKMW-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.90
Rot. Bonds2

About (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone

(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone (PubChem CID 43394206) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
PubChem CID43394206
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2oc3ccc(C)cc3c2C)c1
InChIInChI=1S/C19H18O2/c1-11-5-7-13(3)15(9-11)18(20)19-14(4)16-10-12(2)6-8-17(16)21-19/h5-10H,1-4H3
InChIKeyUWDXYRXMZVZKMW-UHFFFAOYSA-N
XLogP4.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 107355103
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
CID 102949361
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
3-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 82394773
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone (CID 43394206) is (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2oc3ccc(C)cc3c2C)c1.
What is the InChIKey of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
The InChIKey is UWDXYRXMZVZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-11-5-7-13(3)15(9-11)18(20)19-14(4)16-10-12(2)6-8-17(16)21-19/h5-10H,1-4H3.
What are the key properties of (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone?
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 43394206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).