(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene

C12H16O — CID 59880475

IUPAC(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
SMILESCCOC1c2ccccc2C[C@H]1C
InChIInChI=1S/C12H16O/c1-3-13-12-9(2)8-10-6-4-5-7-11(10)12/h4-7,9,12H,3,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyXSQHJVOINDGXQW-PKEIRNPWSA-N
MW176.26 g/mol
LogP2.96
Rot. Bonds2

About (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene

(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene (PubChem CID 59880475) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
PubChem CID59880475
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
SMILESCCOC1c2ccccc2C[C@H]1C
InChIInChI=1S/C12H16O/c1-3-13-12-9(2)8-10-6-4-5-7-11(10)12/h4-7,9,12H,3,8H2,1-2H3/t9-,12?/m1/s1
InChIKeyXSQHJVOINDGXQW-PKEIRNPWSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
CID 130277539
2-methoxy-4-[(2-methyl-2,3-dihydro-1H-inden-1-yl)oxy]cyclohexan-1-ol
CID 5314345
1,3-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 57311823
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
ethane;[(1S)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanol
CID 142999040
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene (CID 59880475) is (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene is CCOC1c2ccccc2C[C@H]1C.
What is the InChIKey of (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is XSQHJVOINDGXQW-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H16O/c1-3-13-12-9(2)8-10-6-4-5-7-11(10)12/h4-7,9,12H,3,8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene?
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 176.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 59880475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).