(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol

C14H16O2 — CID 10987691

IUPAC(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol
SMILESCc1c(C)c2c(c(C)c1O)[C@@H]1C=CC[C@@H]1O2
InChIInChI=1S/C14H16O2/c1-7-8(2)14-12(9(3)13(7)15)10-5-4-6-11(10)16-14/h4-5,10-11,15H,6H2,1-3H3/t10-,11+/m1/s1
InChIKeyKWFFPJZOLOQHHW-MNOVXSKESA-N
MW216.28 g/mol
LogP3.12
Rot. Bonds

About (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol

(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol (PubChem CID 10987691) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol.

Molecular Properties

Compound Name(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol
PubChem CID10987691
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol
SMILESCc1c(C)c2c(c(C)c1O)[C@@H]1C=CC[C@@H]1O2
InChIInChI=1S/C14H16O2/c1-7-8(2)14-12(9(3)13(7)15)10-5-4-6-11(10)16-14/h4-5,10-11,15H,6H2,1-3H3/t10-,11+/m1/s1
InChIKeyKWFFPJZOLOQHHW-MNOVXSKESA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hthq
CID 119193
4,6-Bis(1,1-dimethylethyl)-2,3-dihydro-2,2-dipentyl-5-benzofuranol
CID 9800472
2,3-Dihydro-5-hydroxybenzo(b)furan
CID 11126311
L 670630
CID 124255
Ustusorane E
CID 44557648
6-Propyl-2,3-dihydro-1-benzofuran-5-ol
CID 5324657
(2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chromen-6-ol
CID 10574579
L 651896
CID 6438824
2-Phenethyl-2,3-dihydrobenzofuran-5-ol
CID 9881247
6-t-Butyl-5-hydroxy-2,3-dihydrobenzofuran
CID 14143240
6-Prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
6-(3-Phenoxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484904

Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol?
The IUPAC name of (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol (CID 10987691) is (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol.
What is the SMILES notation for (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol?
The canonical SMILES for (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol is Cc1c(C)c2c(c(C)c1O)[C@@H]1C=CC[C@@H]1O2.
What is the InChIKey of (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol?
The InChIKey is KWFFPJZOLOQHHW-MNOVXSKESA-N. The full InChI is InChI=1S/C14H16O2/c1-7-8(2)14-12(9(3)13(7)15)10-5-4-6-11(10)16-14/h4-5,10-11,15H,6H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol?
(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol has a molecular weight of 216.28 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol is sourced from PubChem (CID 10987691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).