1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid

C13H16O3 — CID 79429175

IUPAC1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(CCCO)CCc2ccccc21
InChIInChI=1S/C13H16O3/c14-9-3-7-13(12(15)16)8-6-10-4-1-2-5-11(10)13/h1-2,4-5,14H,3,6-9H2,(H,15,16)
InChIKeyLGSXCWPOYXHCSZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.73
Rot. Bonds4

About 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid

1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid (PubChem CID 79429175) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
PubChem CID79429175
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(CCCO)CCc2ccccc21
InChIInChI=1S/C13H16O3/c14-9-3-7-13(12(15)16)8-6-10-4-1-2-5-11(10)13/h1-2,4-5,14H,3,6-9H2,(H,15,16)
InChIKeyLGSXCWPOYXHCSZ-UHFFFAOYSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 104648534
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydroindene-1-carboxylic acid
CID 106734122
1-but-2-enyl-2,3-dihydroindene-1-carboxylic acid
CID 79428785
1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 65408733
1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313
1-(2-propylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 106727810
1-pentyl-N-propyl-2,3-dihydroindene-1-carboxamide
CID 54171569
1-[(2,5-difluorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65407201
1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 79429267

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid (CID 79429175) is 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(CCCO)CCc2ccccc21.
What is the InChIKey of 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is LGSXCWPOYXHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-9-3-7-13(12(15)16)8-6-10-4-1-2-5-11(10)13/h1-2,4-5,14H,3,6-9H2,(H,15,16).
What are the key properties of 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid?
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 79429175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).