2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol

C21H25NO — CID 163453306

IUPAC2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
SMILESCc1cccc(C2(O)c3cc(C)ccc3C3CN(C)CCC32)c1
InChIInChI=1S/C21H25NO/c1-14-5-4-6-16(11-14)21(23)19-9-10-22(3)13-18(19)17-8-7-15(2)12-20(17)21/h4-8,11-12,18-19,23H,9-10,13H2,1-3H3
InChIKeyBIIAEUYLAGRPMN-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.59
Rot. Bonds1

About 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol

2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol (PubChem CID 163453306) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol.

Molecular Properties

Compound Name2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
PubChem CID163453306
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
SMILESCc1cccc(C2(O)c3cc(C)ccc3C3CN(C)CCC32)c1
InChIInChI=1S/C21H25NO/c1-14-5-4-6-16(11-14)21(23)19-9-10-22(3)13-18(19)17-8-7-15(2)12-20(17)21/h4-8,11-12,18-19,23H,9-10,13H2,1-3H3
InChIKeyBIIAEUYLAGRPMN-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol with MolForge

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Related Compounds

7-chloro-2,5-dimethyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
CID 163642185
(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
CID 125426712
3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 142054708
2,8-dimethyl-3,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,6]naphthyridine
CID 84622398
2,8-dimethyl-5-(3-methylphenyl)sulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 42913085
(4aR,9bS)-2,8-dimethyl-N-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide
CID 95287990
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 27234418
1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]ethanone
CID 101138266
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
CID 546999
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
CID 167711519

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
The IUPAC name of 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol (CID 163453306) is 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol.
What is the SMILES notation for 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
The canonical SMILES for 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol is Cc1cccc(C2(O)c3cc(C)ccc3C3CN(C)CCC32)c1.
What is the InChIKey of 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
The InChIKey is BIIAEUYLAGRPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-14-5-4-6-16(11-14)21(23)19-9-10-22(3)13-18(19)17-8-7-15(2)12-20(17)21/h4-8,11-12,18-19,23H,9-10,13H2,1-3H3.
What are the key properties of 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol?
2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol has a molecular weight of 307.44 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol is sourced from PubChem (CID 163453306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).