3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran

C20H22O2 — CID 132561835

IUPAC3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
SMILESCC1(CCC2(C)COc3ccccc32)COc2ccccc21
InChIInChI=1S/C20H22O2/c1-19(13-21-17-9-5-3-7-15(17)19)11-12-20(2)14-22-18-10-6-4-8-16(18)20/h3-10H,11-14H2,1-2H3
InChIKeySNIJRUZSIIOBID-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.47
Rot. Bonds3

About 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran

3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran (PubChem CID 132561835) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran.

Molecular Properties

Compound Name3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
PubChem CID132561835
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
SMILESCC1(CCC2(C)COc3ccccc32)COc2ccccc21
InChIInChI=1S/C20H22O2/c1-19(13-21-17-9-5-3-7-15(17)19)11-12-20(2)14-22-18-10-6-4-8-16(18)20/h3-10H,11-14H2,1-2H3
InChIKeySNIJRUZSIIOBID-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561837
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
3-methyl-3-prop-2-enyl-2H-1-benzofuran
CID 101045859
4-[[(3S)-3-methyl-2H-1-benzofuran-3-yl]methyl]pyridine
CID 134967234
(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
CID 122398318
CID 175667853
CID 175667853
3-methyl-3-[2-(4-methylphenyl)prop-2-enyl]-2H-1-benzofuran
CID 122402252
1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
CID 58564359
CID 175667851
CID 175667851
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
3,3-dibromo-2H-1-benzofuran
CID 70451620
3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
The IUPAC name of 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran (CID 132561835) is 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran.
What is the SMILES notation for 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
The canonical SMILES for 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran is CC1(CCC2(C)COc3ccccc32)COc2ccccc21.
What is the InChIKey of 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
The InChIKey is SNIJRUZSIIOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-19(13-21-17-9-5-3-7-15(17)19)11-12-20(2)14-22-18-10-6-4-8-16(18)20/h3-10H,11-14H2,1-2H3.
What are the key properties of 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran has a molecular weight of 294.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran is sourced from PubChem (CID 132561835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).