(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol

C20H19NO — CID 139052042

IUPAC(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol
SMILESCC1=C(C)C2=Nc3ccccc3[C@@H](O)[C@@]2(c2ccccc2)C1
InChIInChI=1S/C20H19NO/c1-13-12-20(15-8-4-3-5-9-15)18(14(13)2)21-17-11-7-6-10-16(17)19(20)22/h3-11,19,22H,12H2,1-2H3/t19-,20-/m1/s1
InChIKeySJHPEPBZOHXRDW-WOJBJXKFSA-N
MW289.38 g/mol
LogP4.48
Rot. Bonds1

About (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol

(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol (PubChem CID 139052042) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol.

Molecular Properties

Compound Name(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol
PubChem CID139052042
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol
SMILESCC1=C(C)C2=Nc3ccccc3[C@@H](O)[C@@]2(c2ccccc2)C1
InChIInChI=1S/C20H19NO/c1-13-12-20(15-8-4-3-5-9-15)18(14(13)2)21-17-11-7-6-10-16(17)19(20)22/h3-11,19,22H,12H2,1-2H3/t19-,20-/m1/s1
InChIKeySJHPEPBZOHXRDW-WOJBJXKFSA-N
XLogP4.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 125481717
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911
(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline
CID 172643181
1-(2,2-diphenylcyclobutyl)-4-methylbenzene
CID 175322057
3-methyl-3H-indol-2-amine
CID 59934955
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
CID 156789508
3,3-dimethyl-2-phenyl-4H-quinoline
CID 58982953
(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
CID 101333892
3,3-diphenyloxolan-2-ol
CID 102188160

Frequently Asked Questions

What is the IUPAC name of (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol?
The IUPAC name of (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol (CID 139052042) is (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol.
What is the SMILES notation for (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol?
The canonical SMILES for (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol is CC1=C(C)C2=Nc3ccccc3[C@@H](O)[C@@]2(c2ccccc2)C1.
What is the InChIKey of (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol?
The InChIKey is SJHPEPBZOHXRDW-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H19NO/c1-13-12-20(15-8-4-3-5-9-15)18(14(13)2)21-17-11-7-6-10-16(17)19(20)22/h3-11,19,22H,12H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol?
(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol has a molecular weight of 289.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol is sourced from PubChem (CID 139052042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).