(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol

C15H20O2 — CID 10331512

IUPAC(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol
SMILESCc1ccc2c(c1)O[C@@]1(C)[C@@](C)(O)CC[C@@]21C
InChIInChI=1S/C15H20O2/c1-10-5-6-11-12(9-10)17-15(4)13(11,2)7-8-14(15,3)16/h5-6,9,16H,7-8H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyUUTNFVHOXZVUMX-SOUVJXGZSA-N
MW232.32 g/mol
LogP2.95
Rot. Bonds

About (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol

(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol (PubChem CID 10331512) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol.

Molecular Properties

Compound Name(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol
PubChem CID10331512
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol
SMILESCc1ccc2c(c1)O[C@@]1(C)[C@@](C)(O)CC[C@@]21C
InChIInChI=1S/C15H20O2/c1-10-5-6-11-12(9-10)17-15(4)13(11,2)7-8-14(15,3)16/h5-6,9,16H,7-8H2,1-4H3/t13-,14-,15+/m0/s1
InChIKeyUUTNFVHOXZVUMX-SOUVJXGZSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol with MolForge

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Related Compounds

3-hydroperoxy-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran
CID 163109459
(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol
CID 11096080
(2aR,7bS)-2a,5,7b-trimethyl-1H-cyclobuta[b][1]benzofuran-2-one
CID 11019939
(10S)-1,5,9-trimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-ol
CID 138975500
4,7-dimethylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194464
(3R,3aR,8bS)-7-bromo-3-hydroperoxy-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran
CID 86302421
(1R,9R,12S)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12,2'-oxirane]
CID 11117452
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
CID 102352796
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
CID 163063625
2-(2,4-dimethylphenyl)-2,4-bis(ethenyl)-4,7-dimethyl-3H-chromene
CID 158010742
6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]
CID 10560055

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol?
The IUPAC name of (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol (CID 10331512) is (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol.
What is the SMILES notation for (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol?
The canonical SMILES for (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol is Cc1ccc2c(c1)O[C@@]1(C)[C@@](C)(O)CC[C@@]21C.
What is the InChIKey of (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol?
The InChIKey is UUTNFVHOXZVUMX-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-6-11-12(9-10)17-15(4)13(11,2)7-8-14(15,3)16/h5-6,9,16H,7-8H2,1-4H3/t13-,14-,15+/m0/s1.
What are the key properties of (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol?
(3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol has a molecular weight of 232.32 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,8bS)-3,3a,6,8b-tetramethyl-1,2-dihydrocyclopenta[b][1]benzofuran-3-ol is sourced from PubChem (CID 10331512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).