(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol

C16H16O2 — CID 125481717

IUPAC(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
SMILESCC1(c2ccccc2)[C@@H](O)c2ccccc2[C@@H]1O
InChIInChI=1S/C16H16O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10,14-15,17-18H,1H3/t14-,15-/m0/s1
InChIKeyOCSXRAGSBOMMFA-GJZGRUSLSA-N
MW240.30 g/mol
LogP2.72
Rot. Bonds1

About (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol

(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol (PubChem CID 125481717) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol.

Molecular Properties

Compound Name(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
PubChem CID125481717
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
SMILESCC1(c2ccccc2)[C@@H](O)c2ccccc2[C@@H]1O
InChIInChI=1S/C16H16O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10,14-15,17-18H,1H3/t14-,15-/m0/s1
InChIKeyOCSXRAGSBOMMFA-GJZGRUSLSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911
(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
CID 24778112
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
CID 131179314
(2S,3R)-2-methyl-3H-1-benzothiophene-2,3-diol
CID 56950484
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
[(1S,2S,3S)-2-chloro-1-methyl-3-methylsulfanylcyclopropyl]benzene
CID 131033869

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol?
The IUPAC name of (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol (CID 125481717) is (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol.
What is the SMILES notation for (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol?
The canonical SMILES for (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol is CC1(c2ccccc2)[C@@H](O)c2ccccc2[C@@H]1O.
What is the InChIKey of (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol?
The InChIKey is OCSXRAGSBOMMFA-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10,14-15,17-18H,1H3/t14-,15-/m0/s1.
What are the key properties of (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol?
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol has a molecular weight of 240.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol is sourced from PubChem (CID 125481717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).