(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol

C15H20O2 — CID 10704751

IUPAC(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol
SMILESCc1cc2c(c3c1CCOC3)CC(C)(C)[C@@H]2O
InChIInChI=1S/C15H20O2/c1-9-6-11-12(7-15(2,3)14(11)16)13-8-17-5-4-10(9)13/h6,14,16H,4-5,7-8H2,1-3H3/t14-/m1/s1
InChIKeyUFWZMDZKYPGNPV-CQSZACIVSA-N
MW232.32 g/mol
LogP2.68
Rot. Bonds

About (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol

(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol (PubChem CID 10704751) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol.

Molecular Properties

Compound Name(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol
PubChem CID10704751
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol
SMILESCc1cc2c(c3c1CCOC3)CC(C)(C)[C@@H]2O
InChIInChI=1S/C15H20O2/c1-9-6-11-12(7-15(2,3)14(11)16)13-8-17-5-4-10(9)13/h6,14,16H,4-5,7-8H2,1-3H3/t14-/m1/s1
InChIKeyUFWZMDZKYPGNPV-CQSZACIVSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol with MolForge

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Related Compounds

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CID 91497
Dehydrobotrydienol
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Alcyopterosins O
CID 10847307
12-Hydroxydehydrobotrydienol
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7-Hydroxy-10-ethoxydehydrodihydrobotrydial
CID 11265857
7,10-Dihydroxydehydrodihydrobotrydial
CID 11390996
7-Hydroxy-10-dehydroxydehydrodihydrobotr
CID 11402022
8-Ethyl-1,3,4,6,7,8-hexahydro-4,6,6,8-tetramethylcyclopenta(g)-2-benzopyran
CID 10220788
6-tert-butyl-2,3-dihydro-1H-inden-1-ol
CID 18402850
7-Hydroxy-10-methoxydehydrodihydrobotrydial
CID 11459695
(1S)-5-(2-chloroethyl)-4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-1-ol
CID 10612007
1,3,4,7,8,9-Hexahydro-4,7,7,8,9,9-hexamethylcyclopenta[h]-2-benzopyran
CID 9903278

Frequently Asked Questions

What is the IUPAC name of (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol?
The IUPAC name of (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol (CID 10704751) is (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol.
What is the SMILES notation for (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol?
The canonical SMILES for (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol is Cc1cc2c(c3c1CCOC3)CC(C)(C)[C@@H]2O.
What is the InChIKey of (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol?
The InChIKey is UFWZMDZKYPGNPV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-6-11-12(7-15(2,3)14(11)16)13-8-17-5-4-10(9)13/h6,14,16H,4-5,7-8H2,1-3H3/t14-/m1/s1.
What are the key properties of (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol?
(7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol has a molecular weight of 232.32 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5,8,8-trimethyl-3,4,7,9-tetrahydro-1H-cyclopenta[h]isochromen-7-ol is sourced from PubChem (CID 10704751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).