(4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol

C11H14O2 — CID 14116015

IUPAC(4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol
SMILESO[C@H]1C[C@H]2CCC[C@H]2c2occc21
InChIInChI=1S/C11H14O2/c12-10-6-7-2-1-3-8(7)11-9(10)4-5-13-11/h4-5,7-8,10,12H,1-3,6H2/t7-,8-,10+/m1/s1
InChIKeyXXHMPGNTOMOVIQ-MRTMQBJTSA-N
MW178.23 g/mol
LogP2.60
Rot. Bonds

About (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol

(4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol (PubChem CID 14116015) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol.

Molecular Properties

Compound Name(4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol
PubChem CID14116015
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol
SMILESO[C@H]1C[C@H]2CCC[C@H]2c2occc21
InChIInChI=1S/C11H14O2/c12-10-6-7-2-1-3-8(7)11-9(10)4-5-13-11/h4-5,7-8,10,12H,1-3,6H2/t7-,8-,10+/m1/s1
InChIKeyXXHMPGNTOMOVIQ-MRTMQBJTSA-N
XLogP2.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol with MolForge

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Related Compounds

(1S,7S,9R)-10,13,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-7-ol
CID 71718962
(7R)-4,5,6,7-tetrahydro-1-benzofuran-7-ol
CID 130671391
(2R,4S,7R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 130762493
(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 10397277
2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid
CID 81009088
3-(3-bromofuran-2-yl)cyclopentan-1-ol
CID 64513665
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 130891181
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199

Frequently Asked Questions

What is the IUPAC name of (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol?
The IUPAC name of (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol (CID 14116015) is (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol.
What is the SMILES notation for (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol?
The canonical SMILES for (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol is O[C@H]1C[C@H]2CCC[C@H]2c2occc21.
What is the InChIKey of (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol?
The InChIKey is XXHMPGNTOMOVIQ-MRTMQBJTSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-7-2-1-3-8(7)11-9(10)4-5-13-11/h4-5,7-8,10,12H,1-3,6H2/t7-,8-,10+/m1/s1.
What are the key properties of (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol?
(4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol has a molecular weight of 178.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5aR,8aR)-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[g][1]benzofuran-4-ol is sourced from PubChem (CID 14116015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).