3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol

C16H17NO — CID 141026444

IUPAC3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol
SMILESCC1(C)c2cc(O)ccc2NC1c1ccccc1
InChIInChI=1S/C16H17NO/c1-16(2)13-10-12(18)8-9-14(13)17-15(16)11-6-4-3-5-7-11/h3-10,15,17-18H,1-2H3
InChIKeyAPCVOQLCJKVRBK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.84
Rot. Bonds1

About 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol

3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol (PubChem CID 141026444) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol
PubChem CID141026444
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol
SMILESCC1(C)c2cc(O)ccc2NC1c1ccccc1
InChIInChI=1S/C16H17NO/c1-16(2)13-10-12(18)8-9-14(13)17-15(16)11-6-4-3-5-7-11/h3-10,15,17-18H,1-2H3
InChIKeyAPCVOQLCJKVRBK-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-inden-5-ol;hydrochloride
CID 159145522
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
[(2S,4R)-3,3,6-trimethyl-2-phenyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CID 6934485
(2S)-2-deuterio-3,3-dimethyl-2-phenyl-1H-indole
CID 102592929
3-[5-[5-bromo-3-(5-bromo-3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]-3,3-dimethyl-1,2-dihydroindol-2-yl]-1H-indol-6-ol
CID 163611253
(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol
CID 177414444
(6S,7S)-7-amino-8,8-dimethyl-6-phenoxy-6,7-dihydro-5H-naphthalen-2-ol
CID 20751625
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
3-methyl-2,3-dihydro-1H-indazol-5-ol
CID 123771748
4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
CID 12982738
(1R,2R)-1,2,3,3-tetramethyl-1,2-dihydroinden-5-ol
CID 101072339
spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-ol
CID 105436202

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol?
The IUPAC name of 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol (CID 141026444) is 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol.
What is the SMILES notation for 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol?
The canonical SMILES for 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol is CC1(C)c2cc(O)ccc2NC1c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol?
The InChIKey is APCVOQLCJKVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2)13-10-12(18)8-9-14(13)17-15(16)11-6-4-3-5-7-11/h3-10,15,17-18H,1-2H3.
What are the key properties of 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol?
3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol has a molecular weight of 239.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenyl-1,2-dihydroindol-5-ol is sourced from PubChem (CID 141026444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).