ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid

C13H18O3 — CID 142283526

IUPACethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC.COc1ccc2c(c1)C(C(=O)O)CC2
InChIInChI=1S/C11H12O3.C2H6/c1-14-8-4-2-7-3-5-9(11(12)13)10(7)6-8;1-2/h2,4,6,9H,3,5H2,1H3,(H,12,13);1-2H3
InChIKeyGRCXCJQFIAMGBA-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.84
Rot. Bonds2

About ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid

ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 142283526) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Nameethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID142283526
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC.COc1ccc2c(c1)C(C(=O)O)CC2
InChIInChI=1S/C11H12O3.C2H6/c1-14-8-4-2-7-3-5-9(11(12)13)10(7)6-8;1-2/h2,4,6,9H,3,5H2,1H3,(H,12,13);1-2H3
InChIKeyGRCXCJQFIAMGBA-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
CID 138054713
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210
6-methylsulfonyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 70832765
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
(6-methoxy-2,3-dihydro-1H-inden-1-yl)-(5-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 139301949
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 142283526) is ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid is CC.COc1ccc2c(c1)C(C(=O)O)CC2.
What is the InChIKey of ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is GRCXCJQFIAMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C2H6/c1-14-8-4-2-7-3-5-9(11(12)13)10(7)6-8;1-2/h2,4,6,9H,3,5H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid?
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 222.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 142283526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).