2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid

C16H22O4 — CID 2870929

IUPAC2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid
SMILESCOc1ccccc1C1(CC(=O)O)CCOC(C)(C)C1
InChIInChI=1S/C16H22O4/c1-15(2)11-16(8-9-20-15,10-14(17)18)12-6-4-5-7-13(12)19-3/h4-7H,8-11H2,1-3H3,(H,17,18)
InChIKeyPEYISLNVIWVSIF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid

2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid (PubChem CID 2870929) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid
PubChem CID2870929
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid
SMILESCOc1ccccc1C1(CC(=O)O)CCOC(C)(C)C1
InChIInChI=1S/C16H22O4/c1-15(2)11-16(8-9-20-15,10-14(17)18)12-6-4-5-7-13(12)19-3/h4-7H,8-11H2,1-3H3,(H,17,18)
InChIKeyPEYISLNVIWVSIF-UHFFFAOYSA-N
XLogP3.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-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-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid (CID 2870929) is 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid is COc1ccccc1C1(CC(=O)O)CCOC(C)(C)C1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid?
The InChIKey is PEYISLNVIWVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-15(2)11-16(8-9-20-15,10-14(17)18)12-6-4-5-7-13(12)19-3/h4-7H,8-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid?
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetic acid is sourced from PubChem (CID 2870929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).