2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol

C20H22O3 — CID 11438311

IUPAC2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
SMILESCCC1CC2c3cc(O)ccc3OC(c3ccc(O)cc3)C2C1
InChIInChI=1S/C20H22O3/c1-2-12-9-16-17-11-15(22)7-8-19(17)23-20(18(16)10-12)13-3-5-14(21)6-4-13/h3-8,11-12,16,18,20-22H,2,9-10H2,1H3
InChIKeyTXYIWRWSLZUBJX-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.75
Rot. Bonds2

About 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol

2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol (PubChem CID 11438311) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol.

Molecular Properties

Compound Name2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
PubChem CID11438311
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
SMILESCCC1CC2c3cc(O)ccc3OC(c3ccc(O)cc3)C2C1
InChIInChI=1S/C20H22O3/c1-2-12-9-16-17-11-15(22)7-8-19(17)23-20(18(16)10-12)13-3-5-14(21)6-4-13/h3-8,11-12,16,18,20-22H,2,9-10H2,1H3
InChIKeyTXYIWRWSLZUBJX-UHFFFAOYSA-N
XLogP4.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
The IUPAC name of 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol (CID 11438311) is 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol.
What is the SMILES notation for 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
The canonical SMILES for 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol is CCC1CC2c3cc(O)ccc3OC(c3ccc(O)cc3)C2C1.
What is the InChIKey of 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
The InChIKey is TXYIWRWSLZUBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-12-9-16-17-11-15(22)7-8-19(17)23-20(18(16)10-12)13-3-5-14(21)6-4-13/h3-8,11-12,16,18,20-22H,2,9-10H2,1H3.
What are the key properties of 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol has a molecular weight of 310.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol is sourced from PubChem (CID 11438311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).