[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol

C17H24O2 — CID 66393135

IUPAC[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
SMILESCc1ccc2c(c1)CC(CC1(CO)CCCCC1)O2
InChIInChI=1S/C17H24O2/c1-13-5-6-16-14(9-13)10-15(19-16)11-17(12-18)7-3-2-4-8-17/h5-6,9,15,18H,2-4,7-8,10-12H2,1H3
InChIKeyXPJYTRDXDPZLQH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds3

About [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol

[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol (PubChem CID 66393135) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
PubChem CID66393135
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol
SMILESCc1ccc2c(c1)CC(CC1(CO)CCCCC1)O2
InChIInChI=1S/C17H24O2/c1-13-5-6-16-14(9-13)10-15(19-16)11-17(12-18)7-3-2-4-8-17/h5-6,9,15,18H,2-4,7-8,10-12H2,1H3
InChIKeyXPJYTRDXDPZLQH-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
CID 66391192
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
CID 66360102
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66392949
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 66361411
2-methyl-N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66360867
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
[3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentyl]methanamine
CID 66391386
3-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 66391779
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxymethyl]cycloheptan-1-amine
CID 66362925
[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66392757
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol
CID 66361165

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol (CID 66393135) is [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol is Cc1ccc2c(c1)CC(CC1(CO)CCCCC1)O2.
What is the InChIKey of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol?
The InChIKey is XPJYTRDXDPZLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-5-6-16-14(9-13)10-15(19-16)11-17(12-18)7-3-2-4-8-17/h5-6,9,15,18H,2-4,7-8,10-12H2,1H3.
What are the key properties of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol?
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 66393135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).