2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid

C13H15ClO2 — CID 10198635

IUPAC2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid
SMILESCCC1(CC(=O)O)Cc2cccc(Cl)c2C1
InChIInChI=1S/C13H15ClO2/c1-2-13(8-12(15)16)6-9-4-3-5-11(14)10(9)7-13/h3-5H,2,6-8H2,1H3,(H,15,16)
InChIKeyUDNUUHZYZRIXRD-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid

2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid (PubChem CID 10198635) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid
PubChem CID10198635
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid
SMILESCCC1(CC(=O)O)Cc2cccc(Cl)c2C1
InChIInChI=1S/C13H15ClO2/c1-2-13(8-12(15)16)6-9-4-3-5-11(14)10(9)7-13/h3-5H,2,6-8H2,1H3,(H,15,16)
InChIKeyUDNUUHZYZRIXRD-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid?
The IUPAC name of 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid (CID 10198635) is 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid is CCC1(CC(=O)O)Cc2cccc(Cl)c2C1.
What is the InChIKey of 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid?
The InChIKey is UDNUUHZYZRIXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-2-13(8-12(15)16)6-9-4-3-5-11(14)10(9)7-13/h3-5H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid?
2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid has a molecular weight of 238.71 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid is sourced from PubChem (CID 10198635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).