3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol

C16H22O2 — CID 79229291

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol
SMILESOC1CCCCC(CC2COc3ccccc32)C1
InChIInChI=1S/C16H22O2/c17-14-6-2-1-5-12(10-14)9-13-11-18-16-8-4-3-7-15(13)16/h3-4,7-8,12-14,17H,1-2,5-6,9-11H2
InChIKeyUIRGWFNXQSMMNF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol

3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol (PubChem CID 79229291) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol
PubChem CID79229291
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol
SMILESOC1CCCCC(CC2COc3ccccc32)C1
InChIInChI=1S/C16H22O2/c17-14-6-2-1-5-12(10-14)9-13-11-18-16-8-4-3-7-15(13)16/h3-4,7-8,12-14,17H,1-2,5-6,9-11H2
InChIKeyUIRGWFNXQSMMNF-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-ylmethyl)cycloheptan-1-amine
CID 104771828
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopent-2-en-1-ol
CID 79229773
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460132
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 79226192
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran
CID 112570500
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83210018
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclopentan-1-amine
CID 79465588

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol (CID 79229291) is 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol is OC1CCCCC(CC2COc3ccccc32)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol?
The InChIKey is UIRGWFNXQSMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-14-6-2-1-5-12(10-14)9-13-11-18-16-8-4-3-7-15(13)16/h3-4,7-8,12-14,17H,1-2,5-6,9-11H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol?
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 79229291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).