2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol

C22H24O3 — CID 158381221

IUPAC2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol
SMILESOC1CCc2ccc3c(c21)CCO3.c1cc2c(c3c1CCC3)CCO2
InChIInChI=1S/C11H12O2.C11H12O/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10;1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h2,4,9,12H,1,3,5-6H2;4-5H,1-3,6-7H2
InChIKeyGVUTZHLGEOXPLS-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.71
Rot. Bonds

About 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol

2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol (PubChem CID 158381221) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol.

Molecular Properties

Compound Name2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol
PubChem CID158381221
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol
SMILESOC1CCc2ccc3c(c21)CCO3.c1cc2c(c3c1CCC3)CCO2
InChIInChI=1S/C11H12O2.C11H12O/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10;1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h2,4,9,12H,1,3,5-6H2;4-5H,1-3,6-7H2
InChIKeyGVUTZHLGEOXPLS-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-carbaldehyde
CID 163948359
2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetonitrile
CID 45278777
5-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)pentanamide
CID 68574218
(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143055
12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),9,18,20(25)-hexaen-14-ol
CID 118444981
N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582866
2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine
CID 118703699
(2R)-3-methylbutan-2-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143058
N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582867
2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 11708851
CID 172788716
CID 172788716
(1S)-8-iodo-1,2,3,5,6,7-hexahydro-s-indacen-1-ol
CID 155023346

Frequently Asked Questions

What is the IUPAC name of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol?
The IUPAC name of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol (CID 158381221) is 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol.
What is the SMILES notation for 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol?
The canonical SMILES for 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol is OC1CCc2ccc3c(c21)CCO3.c1cc2c(c3c1CCC3)CCO2.
What is the InChIKey of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol?
The InChIKey is GVUTZHLGEOXPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C11H12O/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10;1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h2,4,9,12H,1,3,5-6H2;4-5H,1-3,6-7H2.
What are the key properties of 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol?
2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol has a molecular weight of 336.43 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran;2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-ol is sourced from PubChem (CID 158381221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).