4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one

C17H22O2 — CID 66361201

IUPAC4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one
SMILESCc1ccc2c(c1)CC(CC1CC(C)CCC1=O)O2
InChIInChI=1S/C17H22O2/c1-11-3-5-16(18)13(7-11)9-15-10-14-8-12(2)4-6-17(14)19-15/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3
InChIKeyZAEACMYSKVOWMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.69
Rot. Bonds2

About 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one

4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one (PubChem CID 66361201) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one
PubChem CID66361201
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one
SMILESCc1ccc2c(c1)CC(CC1CC(C)CCC1=O)O2
InChIInChI=1S/C17H22O2/c1-11-3-5-16(18)13(7-11)9-15-10-14-8-12(2)4-6-17(14)19-15/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3
InChIKeyZAEACMYSKVOWMV-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one (CID 66361201) is 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one is Cc1ccc2c(c1)CC(CC1CC(C)CCC1=O)O2.
What is the InChIKey of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one?
The InChIKey is ZAEACMYSKVOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-11-3-5-16(18)13(7-11)9-15-10-14-8-12(2)4-6-17(14)19-15/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3.
What are the key properties of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one has a molecular weight of 258.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 66361201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).