2-methyl-2-naphthalen-2-yloxypropanoic acid

C14H14O3 — CID 737159

IUPAC2-methyl-2-naphthalen-2-yloxypropanoic acid
SMILESCC(C)(Oc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
InChIKeyRVAWSQIHNATWNO-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.08
Rot. Bonds3

About 2-methyl-2-naphthalen-2-yloxypropanoic acid

2-methyl-2-naphthalen-2-yloxypropanoic acid (PubChem CID 737159) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-naphthalen-2-yloxypropanoic acid
PubChem CID737159
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-methyl-2-naphthalen-2-yloxypropanoic acid
SMILESCC(C)(Oc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
InChIKeyRVAWSQIHNATWNO-UHFFFAOYSA-N
XLogP3.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-2-yloxypropanoic acid?
The IUPAC name of 2-methyl-2-naphthalen-2-yloxypropanoic acid (CID 737159) is 2-methyl-2-naphthalen-2-yloxypropanoic acid.
What is the SMILES notation for 2-methyl-2-naphthalen-2-yloxypropanoic acid?
The canonical SMILES for 2-methyl-2-naphthalen-2-yloxypropanoic acid is CC(C)(Oc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-2-naphthalen-2-yloxypropanoic acid?
The InChIKey is RVAWSQIHNATWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-naphthalen-2-yloxypropanoic acid?
2-methyl-2-naphthalen-2-yloxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-2-yloxypropanoic acid is sourced from PubChem (CID 737159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).