4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol

C15H22O2 — CID 115466959

IUPAC4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(CC2CCCCC2)CCCc2occc21
InChIInChI=1S/C15H22O2/c16-15(11-12-5-2-1-3-6-12)9-4-7-14-13(15)8-10-17-14/h8,10,12,16H,1-7,9,11H2
InChIKeyGIJNCUSUCLAWHM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.77
Rot. Bonds2

About 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115466959) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115466959
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(CC2CCCCC2)CCCc2occc21
InChIInChI=1S/C15H22O2/c16-15(11-12-5-2-1-3-6-12)9-4-7-14-13(15)8-10-17-14/h8,10,12,16H,1-7,9,11H2
InChIKeyGIJNCUSUCLAWHM-UHFFFAOYSA-N
XLogP3.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115466959) is 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol is OC1(CC2CCCCC2)CCCc2occc21.
What is the InChIKey of 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is GIJNCUSUCLAWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c16-15(11-12-5-2-1-3-6-12)9-4-7-14-13(15)8-10-17-14/h8,10,12,16H,1-7,9,11H2.
What are the key properties of 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 234.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115466959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).