2-benzyl-5,7-dimethyl-1-benzofuran

C17H16O — CID 132609124

IUPAC2-benzyl-5,7-dimethyl-1-benzofuran
SMILESCc1cc(C)c2oc(Cc3ccccc3)cc2c1
InChIInChI=1S/C17H16O/c1-12-8-13(2)17-15(9-12)11-16(18-17)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyAQJRPTSNFPINKP-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.64
Rot. Bonds2

About 2-benzyl-5,7-dimethyl-1-benzofuran

2-benzyl-5,7-dimethyl-1-benzofuran (PubChem CID 132609124) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-benzyl-5,7-dimethyl-1-benzofuran.

Molecular Properties

Compound Name2-benzyl-5,7-dimethyl-1-benzofuran
PubChem CID132609124
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-benzyl-5,7-dimethyl-1-benzofuran
SMILESCc1cc(C)c2oc(Cc3ccccc3)cc2c1
InChIInChI=1S/C17H16O/c1-12-8-13(2)17-15(9-12)11-16(18-17)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyAQJRPTSNFPINKP-UHFFFAOYSA-N
XLogP4.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-5-bromo-7-methoxy-1-benzofuran
CID 132548395
(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol
CID 139561217
2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde
CID 177267063
5,7-dimethyl-1-benzofuran-2-carbaldehyde
CID 10654816
2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol
CID 177266908
1-(5,7-dimethyl-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65440790
2-benzylfuro[2,3-b]pyridine
CID 10536385
1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 21481497
3-benzyl-6-methylbenzene-1,2,4-triamine
CID 88666591
azane;1-benzyl-3-methylnaphthalene
CID 174691048
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
CID 54858483
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,7-dimethyl-1-benzofuran?
The IUPAC name of 2-benzyl-5,7-dimethyl-1-benzofuran (CID 132609124) is 2-benzyl-5,7-dimethyl-1-benzofuran.
What is the SMILES notation for 2-benzyl-5,7-dimethyl-1-benzofuran?
The canonical SMILES for 2-benzyl-5,7-dimethyl-1-benzofuran is Cc1cc(C)c2oc(Cc3ccccc3)cc2c1.
What is the InChIKey of 2-benzyl-5,7-dimethyl-1-benzofuran?
The InChIKey is AQJRPTSNFPINKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-8-13(2)17-15(9-12)11-16(18-17)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-benzyl-5,7-dimethyl-1-benzofuran?
2-benzyl-5,7-dimethyl-1-benzofuran has a molecular weight of 236.31 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,7-dimethyl-1-benzofuran is sourced from PubChem (CID 132609124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).