1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate

C14H18O2 — CID 118055372

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C14H18O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeySXVNBJZSNZSZCI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.74
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate

1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate (PubChem CID 118055372) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate
PubChem CID118055372
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C14H18O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeySXVNBJZSNZSZCI-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate 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 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate (CID 118055372) is 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate is CC(C)C(=O)OC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate?
The InChIKey is SXVNBJZSNZSZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate?
1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate has a molecular weight of 218.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl 2-methylpropanoate is sourced from PubChem (CID 118055372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).