2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid

C17H24O4 — CID 2880256

IUPAC2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid
SMILESCCC1(C)CC(CC(=O)O)(c2ccccc2OC)CCO1
InChIInChI=1S/C17H24O4/c1-4-16(2)12-17(9-10-21-16,11-15(18)19)13-7-5-6-8-14(13)20-3/h5-8H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyABEPXOJALBDJMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.39
Rot. Bonds5

About 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid

2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid (PubChem CID 2880256) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid
PubChem CID2880256
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid
SMILESCCC1(C)CC(CC(=O)O)(c2ccccc2OC)CCO1
InChIInChI=1S/C17H24O4/c1-4-16(2)12-17(9-10-21-16,11-15(18)19)13-7-5-6-8-14(13)20-3/h5-8H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyABEPXOJALBDJMU-UHFFFAOYSA-N
XLogP3.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid?
The IUPAC name of 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid (CID 2880256) is 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid?
The canonical SMILES for 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid is CCC1(C)CC(CC(=O)O)(c2ccccc2OC)CCO1.
What is the InChIKey of 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid?
The InChIKey is ABEPXOJALBDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-16(2)12-17(9-10-21-16,11-15(18)19)13-7-5-6-8-14(13)20-3/h5-8H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid?
2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetic acid is sourced from PubChem (CID 2880256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).