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

C19H20O3 — CID 142244951

IUPAC4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
SMILESCC1CCC2c3cc(O)ccc3OC(c3ccc(O)cc3)C12
InChIInChI=1S/C19H20O3/c1-11-2-8-15-16-10-14(21)7-9-17(16)22-19(18(11)15)12-3-5-13(20)6-4-12/h3-7,9-11,15,18-21H,2,8H2,1H3
InChIKeyHXKMIMWSPBMPDQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.36
Rot. Bonds1

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

4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol (PubChem CID 142244951) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
PubChem CID142244951
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
SMILESCC1CCC2c3cc(O)ccc3OC(c3ccc(O)cc3)C12
InChIInChI=1S/C19H20O3/c1-11-2-8-15-16-10-14(21)7-9-17(16)22-19(18(11)15)12-3-5-13(20)6-4-12/h3-7,9-11,15,18-21H,2,8H2,1H3
InChIKeyHXKMIMWSPBMPDQ-UHFFFAOYSA-N
XLogP4.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(6S,6aR,9S,10aS)-6-(4-hydroxyphenyl)-9-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-2-ol
CID 11483722
(3aR,4S,9bS)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol;(3aS,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 158135168
(2S,3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromene-2,8-diol
CID 11185602
(2S,3aS,4R,9bR)-2-tert-butyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11198539
2-ethyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11438311
(2S,3aR,4S,9bS)-4-(4-hydroxyphenyl)-2-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 11473557
2-ethynyl-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 72756627
(3aR,4S,9bR)-1,1-dimethyl-4-(4-methylphenyl)-3,3a,4,9b-tetrahydro-2H-cyclopenta[c]chromen-8-ol
CID 58862336
ethane;(4R)-4-(4-hydroxyphenyl)-7-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
CID 142244900
2-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-chromene-4,6-diol
CID 154345810
4-[8-(trifluoromethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
CID 10125843
4-[(3aS,4R,9bR)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-4-yl]phenol
CID 23648462

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
The IUPAC name of 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol (CID 142244951) is 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol is CC1CCC2c3cc(O)ccc3OC(c3ccc(O)cc3)C12.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
The InChIKey is HXKMIMWSPBMPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-11-2-8-15-16-10-14(21)7-9-17(16)22-19(18(11)15)12-3-5-13(20)6-4-12/h3-7,9-11,15,18-21H,2,8H2,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol?
4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol has a molecular weight of 296.37 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-methyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol is sourced from PubChem (CID 142244951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).