2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol

C16H22O2 — CID 106828274

IUPAC2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C16H22O2/c1-16(8-3-2-4-9-16)15(17)13-5-6-14-12(11-13)7-10-18-14/h5-6,11,15,17H,2-4,7-10H2,1H3
InChIKeyJHNPSIUNYAWPSN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.63
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol (PubChem CID 106828274) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
PubChem CID106828274
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C16H22O2/c1-16(8-3-2-4-9-16)15(17)13-5-6-14-12(11-13)7-10-18-14/h5-6,11,15,17H,2-4,7-10H2,1H3
InChIKeyJHNPSIUNYAWPSN-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
CID 63976111
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116763076
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol (CID 106828274) is 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol is CC1(C(O)c2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol?
The InChIKey is JHNPSIUNYAWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(8-3-2-4-9-16)15(17)13-5-6-14-12(11-13)7-10-18-14/h5-6,11,15,17H,2-4,7-10H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).