2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid

C14H17ClO2 — CID 84634747

IUPAC2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
SMILESCC1(C)CCC(CC(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClO2/c1-14(2)6-5-9(7-13(16)17)11-8-10(15)3-4-12(11)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)
InChIKeyGJRCVPYQGHLHJC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.97
Rot. Bonds2

About 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid

2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid (PubChem CID 84634747) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
PubChem CID84634747
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
SMILESCC1(C)CCC(CC(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C14H17ClO2/c1-14(2)6-5-9(7-13(16)17)11-8-10(15)3-4-12(11)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)
InChIKeyGJRCVPYQGHLHJC-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid (CID 84634747) is 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid is CC1(C)CCC(CC(=O)O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
The InChIKey is GJRCVPYQGHLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-14(2)6-5-9(7-13(16)17)11-8-10(15)3-4-12(11)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid?
2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid has a molecular weight of 252.74 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 84634747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).