1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol

C15H20O3 — CID 114743729

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(c2cccc3c2OCC3)CC1
InChIInChI=1S/C15H20O3/c1-17-12-5-8-15(16,9-6-12)13-4-2-3-11-7-10-18-14(11)13/h2-4,12,16H,5-10H2,1H3
InChIKeyYXZMWKSQCWLRQI-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.40
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol

1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol (PubChem CID 114743729) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
PubChem CID114743729
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)(c2cccc3c2OCC3)CC1
InChIInChI=1S/C15H20O3/c1-17-12-5-8-15(16,9-6-12)13-4-2-3-11-7-10-18-14(11)13/h2-4,12,16H,5-10H2,1H3
InChIKeyYXZMWKSQCWLRQI-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
1-(2,3-dihydro-1-benzofuran-7-yl)-6-methyl-2,3-dihydroinden-1-ol
CID 114743658
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
2-tert-butyl-1-(2,3-dihydro-1-benzofuran-7-yl)cyclohexan-1-amine
CID 114743807
1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
CID 113414594
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743920

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol (CID 114743729) is 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol is COC1CCC(O)(c2cccc3c2OCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol?
The InChIKey is YXZMWKSQCWLRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-12-5-8-15(16,9-6-12)13-4-2-3-11-7-10-18-14(11)13/h2-4,12,16H,5-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol?
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 114743729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).