3,7-dimethyl-3-phenyl-2H-1-benzofuran

C16H16O — CID 150065671

IUPAC3,7-dimethyl-3-phenyl-2H-1-benzofuran
SMILESCc1cccc2c1OCC2(C)c1ccccc1
InChIInChI=1S/C16H16O/c1-12-7-6-10-14-15(12)17-11-16(14,2)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3
InChIKeyDOFNKFHJJNKAMW-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.69
Rot. Bonds1

About 3,7-dimethyl-3-phenyl-2H-1-benzofuran

3,7-dimethyl-3-phenyl-2H-1-benzofuran (PubChem CID 150065671) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,7-dimethyl-3-phenyl-2H-1-benzofuran.

Molecular Properties

Compound Name3,7-dimethyl-3-phenyl-2H-1-benzofuran
PubChem CID150065671
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3,7-dimethyl-3-phenyl-2H-1-benzofuran
SMILESCc1cccc2c1OCC2(C)c1ccccc1
InChIInChI=1S/C16H16O/c1-12-7-6-10-14-15(12)17-11-16(14,2)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3
InChIKeyDOFNKFHJJNKAMW-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
3-methyl-3-phenyl-2H-1-benzofuran-5-carboxylic acid
CID 138523708
methyl 7-bromo-3-methyl-3-phenyl-2H-1-benzofuran-5-carboxylate
CID 138523709
4,8-dimethyl-2,4-diphenyl-2,3-dihydrothiochromene
CID 10914515
(5,9-dimethyl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82241430
ethane;7-methylspiro[2H-1-benzofuran-3,3'-piperidine]-2',6'-dione
CID 177180233
1-ethenyl-2-methylbenzene;2-methyl-2-phenyloxirane
CID 178075043
(2S)-2-methyl-2-phenyloxirane
CID 11629614
8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105472206
N-[3-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)-2H-1-benzofuran-7-yl]acetamide
CID 101078185
4-methyl-9-phenylfluoren-9-ol
CID 22117630
1-methyl-1,3-bis(4-methylphenyl)-3-phenyl-2H-indene
CID 86216141

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-phenyl-2H-1-benzofuran?
The IUPAC name of 3,7-dimethyl-3-phenyl-2H-1-benzofuran (CID 150065671) is 3,7-dimethyl-3-phenyl-2H-1-benzofuran.
What is the SMILES notation for 3,7-dimethyl-3-phenyl-2H-1-benzofuran?
The canonical SMILES for 3,7-dimethyl-3-phenyl-2H-1-benzofuran is Cc1cccc2c1OCC2(C)c1ccccc1.
What is the InChIKey of 3,7-dimethyl-3-phenyl-2H-1-benzofuran?
The InChIKey is DOFNKFHJJNKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-7-6-10-14-15(12)17-11-16(14,2)13-8-4-3-5-9-13/h3-10H,11H2,1-2H3.
What are the key properties of 3,7-dimethyl-3-phenyl-2H-1-benzofuran?
3,7-dimethyl-3-phenyl-2H-1-benzofuran has a molecular weight of 224.30 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-phenyl-2H-1-benzofuran is sourced from PubChem (CID 150065671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).