3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid

C16H22O3 — CID 117410558

IUPAC3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid
SMILESCC1(C)CCc2cccc(CC(C)(C)C(=O)O)c2O1
InChIInChI=1S/C16H22O3/c1-15(2,14(17)18)10-12-7-5-6-11-8-9-16(3,4)19-13(11)12/h5-7H,8-10H2,1-4H3,(H,17,18)
InChIKeyJDDISBHQPUSMRT-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.44
Rot. Bonds3

About 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid

3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid (PubChem CID 117410558) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid
PubChem CID117410558
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid
SMILESCC1(C)CCc2cccc(CC(C)(C)C(=O)O)c2O1
InChIInChI=1S/C16H22O3/c1-15(2,14(17)18)10-12-7-5-6-11-8-9-16(3,4)19-13(11)12/h5-7H,8-10H2,1-4H3,(H,17,18)
InChIKeyJDDISBHQPUSMRT-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
CID 117311200
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,2-dimethylpropanoic acid
CID 117344667
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
CID 117367979
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65061234
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanoic acid
CID 117376381
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)butanoic acid
CID 64507705
2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-7-yl)propanoic acid
CID 117370249
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
2,2-dimethyl-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanoic acid
CID 117469358

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid (CID 117410558) is 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid is CC1(C)CCc2cccc(CC(C)(C)C(=O)O)c2O1.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid?
The InChIKey is JDDISBHQPUSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2,14(17)18)10-12-7-5-6-11-8-9-16(3,4)19-13(11)12/h5-7H,8-10H2,1-4H3,(H,17,18).
What are the key properties of 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid?
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117410558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).