2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid

C12H11ClO2 — CID 105479967

IUPAC2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1=CCCc2c(Cl)cccc21
InChIInChI=1S/C12H11ClO2/c13-11-6-2-4-9-8(7-12(14)15)3-1-5-10(9)11/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeySCDAEYMOPXWPGM-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.14
Rot. Bonds2

About 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid

2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid (PubChem CID 105479967) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid
PubChem CID105479967
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1=CCCc2c(Cl)cccc21
InChIInChI=1S/C12H11ClO2/c13-11-6-2-4-9-8(7-12(14)15)3-1-5-10(9)11/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeySCDAEYMOPXWPGM-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid (CID 105479967) is 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid is O=C(O)CC1=CCCc2c(Cl)cccc21.
What is the InChIKey of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid?
The InChIKey is SCDAEYMOPXWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c13-11-6-2-4-9-8(7-12(14)15)3-1-5-10(9)11/h2-4,6H,1,5,7H2,(H,14,15).
What are the key properties of 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid?
2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid has a molecular weight of 222.67 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 105479967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).