4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one

C19H26O2 — CID 66364377

IUPAC4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)C(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C19H26O2/c1-19(2,3)15-8-9-17(20)14(10-15)12-16-11-13-6-4-5-7-18(13)21-16/h4-7,14-16H,8-12H2,1-3H3
InChIKeyDDYSLNNJUIWCEV-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.41
Rot. Bonds2

About 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one

4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one (PubChem CID 66364377) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one
PubChem CID66364377
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one
SMILESCC(C)(C)C1CCC(=O)C(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C19H26O2/c1-19(2,3)15-8-9-17(20)14(10-15)12-16-11-13-6-4-5-7-18(13)21-16/h4-7,14-16H,8-12H2,1-3H3
InChIKeyDDYSLNNJUIWCEV-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 66364994
4-tert-butyl-2-(cyclopentylmethyl)cyclohexan-1-one
CID 63399146
4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one
CID 66361201
4-tert-butyl-2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-one
CID 79215580
cis-(2R,4S)-4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
CID 1249355
4-tert-butyl-2-[[ethyl(methyl)amino]methyl]cyclohexan-1-one
CID 62612694
4-tert-butyl-2-[(2,6-difluorophenyl)methyl]cyclohexan-1-one
CID 114930703
4-tert-butyl-2-(2-phenylsulfanylethyl)cyclohexan-1-one
CID 79227739
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-one
CID 63400185
4-tert-butyl-2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclohexan-1-one
CID 79379920
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one (CID 66364377) is 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one is CC(C)(C)C1CCC(=O)C(CC2Cc3ccccc3O2)C1.
What is the InChIKey of 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one?
The InChIKey is DDYSLNNJUIWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-19(2,3)15-8-9-17(20)14(10-15)12-16-11-13-6-4-5-7-18(13)21-16/h4-7,14-16H,8-12H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one?
4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one has a molecular weight of 286.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 66364377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).