6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid

C10H9ClO2 — CID 125449044

IUPAC6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1Cl)CCC2
InChIInChI=1S/C10H9ClO2/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyZMYXJXAMSPUXEC-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.53
Rot. Bonds1

About 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid

6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 125449044) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID125449044
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1Cl)CCC2
InChIInChI=1S/C10H9ClO2/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyZMYXJXAMSPUXEC-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid
CID 139940214
(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid
CID 175811159
carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde
CID 88782894
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]indene-4-carboxylic acid
CID 71370155
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid
CID 50888852
methyl 5-(3-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopentanoate
CID 82550425
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene-4,9,14,19,24,26,28,30,32,34-decacarboxylic acid
CID 132502050
6-chloro-5-methoxy-2,3-dihydro-1H-indene-4-carboxylic acid
CID 171787802

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid (CID 125449044) is 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1cc2c(cc1Cl)CCC2.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ZMYXJXAMSPUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-9-5-7-3-1-2-6(7)4-8(9)10(12)13/h4-5H,1-3H2,(H,12,13).
What are the key properties of 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid?
6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 196.63 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 125449044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).