2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C14H18O2 — CID 84622892

IUPAC2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCc1ccc2c(c1)CC(C)CC2CC(=O)O
InChIInChI=1S/C14H18O2/c1-9-3-4-13-11(5-9)6-10(2)7-12(13)8-14(15)16/h3-5,10,12H,6-8H2,1-2H3,(H,15,16)
InChIKeyGIRGINANKHXKHR-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.14
Rot. Bonds2

About 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 84622892) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID84622892
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCc1ccc2c(c1)CC(C)CC2CC(=O)O
InChIInChI=1S/C14H18O2/c1-9-3-4-13-11(5-9)6-10(2)7-12(13)8-14(15)16/h3-5,10,12H,6-8H2,1-2H3,(H,15,16)
InChIKeyGIRGINANKHXKHR-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
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-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 84622892) is 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is Cc1ccc2c(c1)CC(C)CC2CC(=O)O.
What is the InChIKey of 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is GIRGINANKHXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-3-4-13-11(5-9)6-10(2)7-12(13)8-14(15)16/h3-5,10,12H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 218.30 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-(3,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 84622892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).