6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol

C25H23ClO2 — CID 66651907

IUPAC6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
SMILESOc1ccc(C2Cc3c(-c4ccc(Cl)cc4)cc(O)cc3C3CCCC23)cc1
InChIInChI=1S/C25H23ClO2/c26-17-8-4-15(5-9-17)22-12-19(28)13-24-21-3-1-2-20(21)23(14-25(22)24)16-6-10-18(27)11-7-16/h4-13,20-21,23,27-28H,1-3,14H2
InChIKeyCBIVXSQQIJQHDG-UHFFFAOYSA-N
MW390.91 g/mol
LogP6.64
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol

6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol (PubChem CID 66651907) has the molecular formula C25H23ClO2 and a molecular weight of 390.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
PubChem CID66651907
Molecular FormulaC25H23ClO2
Molecular Weight390.91 g/mol
Exact Mass390.14
IUPAC Name6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
SMILESOc1ccc(C2Cc3c(-c4ccc(Cl)cc4)cc(O)cc3C3CCCC23)cc1
InChIInChI=1S/C25H23ClO2/c26-17-8-4-15(5-9-17)22-12-19(28)13-24-21-3-1-2-20(21)23(14-25(22)24)16-6-10-18(27)11-7-16/h4-13,20-21,23,27-28H,1-3,14H2
InChIKeyCBIVXSQQIJQHDG-UHFFFAOYSA-N
XLogP6.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-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

Related Compounds

4-Chlorophenyl-bis(2-hydroxy-1-naphthyl)methane
CID 47966
8-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10214699
6-(2-Chloro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10308197
1-(4-Chloro-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-5-ol
CID 11674420
(8R,9S,13S,14S,17R)-17-[(3-chlorophenyl)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10500968
(8R,9S,13S,14S,17R)-17-[(2,6-dichlorophenyl)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10646335
(8R,9S,13S,14S,17R)-17-[(3,4-dichlorophenyl)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10693977
2-[(4-Chlorophenyl)methyl]naphthalen-1-ol
CID 44347502
(8R,9S,13S,14S)-2,4-bis(4-chlorophenyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 132819935
(5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 90671937
4-[(4-Chlorophenyl)-(4-hydroxyphenyl)methyl]phenol
CID 511799
(4bR,10bR)-4b,5,6,10b,11,12-hexahydrochrysene-2,8-diol
CID 12519777

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
The IUPAC name of 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol (CID 66651907) is 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
The canonical SMILES for 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol is Oc1ccc(C2Cc3c(-c4ccc(Cl)cc4)cc(O)cc3C3CCCC23)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
The InChIKey is CBIVXSQQIJQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClO2/c26-17-8-4-15(5-9-17)22-12-19(28)13-24-21-3-1-2-20(21)23(14-25(22)24)16-6-10-18(27)11-7-16/h4-13,20-21,23,27-28H,1-3,14H2.
What are the key properties of 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol has a molecular weight of 390.91 g/mol, XLogP of 6.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol is sourced from PubChem (CID 66651907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).