3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol

C16H21NO — CID 140532718

IUPAC3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol
SMILESCC1(C)C(c2ccccc2)=NC2CCC(O)CC21
InChIInChI=1S/C16H21NO/c1-16(2)13-10-12(18)8-9-14(13)17-15(16)11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3
InChIKeyMMPKSUAGXZNLEV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.05
Rot. Bonds1

About 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol

3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol (PubChem CID 140532718) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol
PubChem CID140532718
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol
SMILESCC1(C)C(c2ccccc2)=NC2CCC(O)CC21
InChIInChI=1S/C16H21NO/c1-16(2)13-10-12(18)8-9-14(13)17-15(16)11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3
InChIKeyMMPKSUAGXZNLEV-UHFFFAOYSA-N
XLogP3.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol with MolForge

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Related Compounds

ST026286
CID 3251128
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
1-Phenyl-2-azaspiro[4.5]dec-1-en-3-ol
CID 132819998
4,4-Dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
CID 132819999
1-(4-Methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961414
1-(2,5-Dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961416
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol
CID 17989071
1-(Benzhydrylideneamino)decan-4-ol
CID 59168728
3,3,5-Trimethyl-5-[[(4-prop-2-enylphenyl)methylideneamino]methyl]cyclohexan-1-ol
CID 129283911
2-[(Benzylideneamino)methyl]-4,6-ditert-butylcyclohexan-1-ol
CID 140423338
5-Methoxy-3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindole
CID 140532715
1,2,3,4,4a,10b-Hexahydrophenanthridin-2-ol;hydrochloride
CID 141121509

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol?
The IUPAC name of 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol (CID 140532718) is 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol.
What is the SMILES notation for 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol?
The canonical SMILES for 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol is CC1(C)C(c2ccccc2)=NC2CCC(O)CC21.
What is the InChIKey of 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol?
The InChIKey is MMPKSUAGXZNLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2)13-10-12(18)8-9-14(13)17-15(16)11-6-4-3-5-7-11/h3-7,12-14,18H,8-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol?
3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol has a molecular weight of 243.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindol-5-ol is sourced from PubChem (CID 140532718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).