7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one

C16H20O3 — CID 142093816

IUPAC7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one
SMILESCc1c(C)c2c(c(C)c1O)C1C(=O)C(C)CC1(C)O2
InChIInChI=1S/C16H20O3/c1-7-6-16(5)12(13(7)17)11-10(4)14(18)8(2)9(3)15(11)19-16/h7,12,18H,6H2,1-5H3
InChIKeyGSIYHSDMPWMORQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.16
Rot. Bonds

About 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one

7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one (PubChem CID 142093816) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one.

Molecular Properties

Compound Name7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one
PubChem CID142093816
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one
SMILESCc1c(C)c2c(c(C)c1O)C1C(=O)C(C)CC1(C)O2
InChIInChI=1S/C16H20O3/c1-7-6-16(5)12(13(7)17)11-10(4)14(18)8(2)9(3)15(11)19-16/h7,12,18H,6H2,1-5H3
InChIKeyGSIYHSDMPWMORQ-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one 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

5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4,6-diol
CID 69055305
methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
CID 10355440
N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide
CID 69056639
(3R)-3-(bromomethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
CID 10040370
4-(ethylaminomethyl)-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
CID 69053956
2,2,4,6,7-pentamethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-3H-1-benzofuran-5-ol
CID 22238256
3-(methoxymethyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
CID 142223313
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
CID 10085530
ethyl 3-[(6-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-4-yl)sulfanyl]propanoate
CID 101261697
2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
CID 12018728
(2S,3S)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-3H-1-benzofuran-5-ol
CID 59260229

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one?
The IUPAC name of 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one (CID 142093816) is 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one.
What is the SMILES notation for 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one?
The canonical SMILES for 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one is Cc1c(C)c2c(c(C)c1O)C1C(=O)C(C)CC1(C)O2.
What is the InChIKey of 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one?
The InChIKey is GSIYHSDMPWMORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-7-6-16(5)12(13(7)17)11-10(4)14(18)8(2)9(3)15(11)19-16/h7,12,18H,6H2,1-5H3.
What are the key properties of 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one?
7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one has a molecular weight of 260.33 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one is sourced from PubChem (CID 142093816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).