1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid

C15H18O3 — CID 117367979

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CCc2cccc(C3(C(=O)O)CC3)c2O1
InChIInChI=1S/C15H18O3/c1-14(2)7-6-10-4-3-5-11(12(10)18-14)15(8-9-15)13(16)17/h3-5H,6-9H2,1-2H3,(H,16,17)
InChIKeyGXYGPDYNTPNJJI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.91
Rot. Bonds2

About 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid

1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid (PubChem CID 117367979) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
PubChem CID117367979
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CCc2cccc(C3(C(=O)O)CC3)c2O1
InChIInChI=1S/C15H18O3/c1-14(2)7-6-10-4-3-5-11(12(10)18-14)15(8-9-15)13(16)17/h3-5H,6-9H2,1-2H3,(H,16,17)
InChIKeyGXYGPDYNTPNJJI-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanoic acid
CID 117376381
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,2-dimethylpropanoic acid
CID 117410558
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
CID 117311200
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
CID 84673537
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867
2,2,6-trimethyl-3,4-dihydrochromene-8-carboxylic acid
CID 171787688
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698810
3-amino-3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698811
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
CID 117401849
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid (CID 117367979) is 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid is CC1(C)CCc2cccc(C3(C(=O)O)CC3)c2O1.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid?
The InChIKey is GXYGPDYNTPNJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-14(2)7-6-10-4-3-5-11(12(10)18-14)15(8-9-15)13(16)17/h3-5H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid?
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117367979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).