(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol

C17H18O — CID 10537911

IUPAC(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
SMILESC[C@H]1c2ccccc2[C@H](C)C1(O)c1ccccc1
InChIInChI=1S/C17H18O/c1-12-15-10-6-7-11-16(15)13(2)17(12,18)14-8-4-3-5-9-14/h3-13,18H,1-2H3/t12-,13-/m0/s1
InChIKeyDDUPFWKEUNZYNN-STQMWFEESA-N
MW238.33 g/mol
LogP3.80
Rot. Bonds1

About (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol

(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol (PubChem CID 10537911) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
PubChem CID10537911
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
SMILESC[C@H]1c2ccccc2[C@H](C)C1(O)c1ccccc1
InChIInChI=1S/C17H18O/c1-12-15-10-6-7-11-16(15)13(2)17(12,18)14-8-4-3-5-9-14/h3-13,18H,1-2H3/t12-,13-/m0/s1
InChIKeyDDUPFWKEUNZYNN-STQMWFEESA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
CID 102254828
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
1,3,5-trimethyl-4-phenylpiperidin-4-ol;hydrochloride
CID 126467809
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
[(1R,2R)-2-methyl-3-methylidene-1-phenylcyclopropyl]methanol
CID 102252022
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
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
CID 125489858
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol?
The IUPAC name of (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol (CID 10537911) is (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol?
The canonical SMILES for (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol is C[C@H]1c2ccccc2[C@H](C)C1(O)c1ccccc1.
What is the InChIKey of (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol?
The InChIKey is DDUPFWKEUNZYNN-STQMWFEESA-N. The full InChI is InChI=1S/C17H18O/c1-12-15-10-6-7-11-16(15)13(2)17(12,18)14-8-4-3-5-9-14/h3-13,18H,1-2H3/t12-,13-/m0/s1.
What are the key properties of (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol?
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol has a molecular weight of 238.33 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 10537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).