1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid

C11H12O4 — CID 18518702

IUPAC1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
SMILESCOc1cccc2c1CCC2(O)C(=O)O
InChIInChI=1S/C11H12O4/c1-15-9-4-2-3-8-7(9)5-6-11(8,14)10(12)13/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyBGLSGHMTDDWYFB-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.91
Rot. Bonds2

About 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid

1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid (PubChem CID 18518702) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
PubChem CID18518702
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
SMILESCOc1cccc2c1CCC2(O)C(=O)O
InChIInChI=1S/C11H12O4/c1-15-9-4-2-3-8-7(9)5-6-11(8,14)10(12)13/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyBGLSGHMTDDWYFB-UHFFFAOYSA-N
XLogP0.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
CID 118314453
7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 118314467
1-amino-4-methoxy-N-propyl-2,3-dihydroindene-1-carboxamide
CID 138014884
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
5-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951100
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid (CID 18518702) is 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid is COc1cccc2c1CCC2(O)C(=O)O.
What is the InChIKey of 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is BGLSGHMTDDWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-15-9-4-2-3-8-7(9)5-6-11(8,14)10(12)13/h2-4,14H,5-6H2,1H3,(H,12,13).
What are the key properties of 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid?
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 18518702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).