3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol

C16H22O2 — CID 114192029

IUPAC3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
SMILESOC(CCC1CCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H22O2/c17-14(10-9-12-5-1-2-6-12)16-11-13-7-3-4-8-15(13)18-16/h3-4,7-8,12,14,16-17H,1-2,5-6,9-11H2
InChIKeyZTSGFPVFZJETTJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.32
Rot. Bonds4

About 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol

3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114192029) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
PubChem CID114192029
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
SMILESOC(CCC1CCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H22O2/c17-14(10-9-12-5-1-2-6-12)16-11-13-7-3-4-8-15(13)18-16/h3-4,7-8,12,14,16-17H,1-2,5-6,9-11H2
InChIKeyZTSGFPVFZJETTJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
CID 114191995
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 82920238
2-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
CID 65351028
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048079
N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 82932855
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
(4aS,9aS)-2,3,4,4a,9,9a-hexahydro-1H-xanthene
CID 101459378
2,3-dihydro-1-benzofuran-2-yl-(2-propoxyphenyl)methanol
CID 104659715
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105263013

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol (CID 114192029) is 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol is OC(CCC1CCCC1)C1Cc2ccccc2O1.
What is the InChIKey of 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is ZTSGFPVFZJETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-14(10-9-12-5-1-2-6-12)16-11-13-7-3-4-8-15(13)18-16/h3-4,7-8,12,14,16-17H,1-2,5-6,9-11H2.
What are the key properties of 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,3-dihydro-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).