6,6-dimethylbenzo[c]chromene-9-carboxylic acid

C16H14O3 — CID 90880193

IUPAC6,6-dimethylbenzo[c]chromene-9-carboxylic acid
SMILESCC1(C)Oc2ccccc2-c2cc(C(=O)O)ccc21
InChIInChI=1S/C16H14O3/c1-16(2)13-8-7-10(15(17)18)9-12(13)11-5-3-4-6-14(11)19-16/h3-9H,1-2H3,(H,17,18)
InChIKeyNFKDODBLGIEFCY-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.68
Rot. Bonds1

About 6,6-dimethylbenzo[c]chromene-9-carboxylic acid

6,6-dimethylbenzo[c]chromene-9-carboxylic acid (PubChem CID 90880193) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6,6-dimethylbenzo[c]chromene-9-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethylbenzo[c]chromene-9-carboxylic acid
PubChem CID90880193
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name6,6-dimethylbenzo[c]chromene-9-carboxylic acid
SMILESCC1(C)Oc2ccccc2-c2cc(C(=O)O)ccc21
InChIInChI=1S/C16H14O3/c1-16(2)13-8-7-10(15(17)18)9-12(13)11-5-3-4-6-14(11)19-16/h3-9H,1-2H3,(H,17,18)
InChIKeyNFKDODBLGIEFCY-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-oxo-1-benzofuran-5-carboxylic acid
CID 14470651
4,4-dimethylthieno[3,2-c]chromene-2-carboxylic acid
CID 81137565
4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
CID 58406905
6,6-dimethylnaphtho[2,3-c]chromene
CID 59403858
1,1,3,3-tetramethyl-2-benzofuran-5-carboxylic acid
CID 15439040
2,2-dimethyl-5-oxo-3H-1,4-benzodioxepine-7-carboxylic acid
CID 156689031
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
(1E)-3,3-dimethyl-1-(2-oxo-1H-indol-3-ylidene)-2-benzofuran-5-carboxylic acid
CID 58586242
1,1-dimethyl-3H-2-benzofuran-5-carboxylic acid
CID 59509474
spiro[1H-2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 151870020
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylbenzo[c]chromene-9-carboxylic acid?
The IUPAC name of 6,6-dimethylbenzo[c]chromene-9-carboxylic acid (CID 90880193) is 6,6-dimethylbenzo[c]chromene-9-carboxylic acid.
What is the SMILES notation for 6,6-dimethylbenzo[c]chromene-9-carboxylic acid?
The canonical SMILES for 6,6-dimethylbenzo[c]chromene-9-carboxylic acid is CC1(C)Oc2ccccc2-c2cc(C(=O)O)ccc21.
What is the InChIKey of 6,6-dimethylbenzo[c]chromene-9-carboxylic acid?
The InChIKey is NFKDODBLGIEFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-16(2)13-8-7-10(15(17)18)9-12(13)11-5-3-4-6-14(11)19-16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 6,6-dimethylbenzo[c]chromene-9-carboxylic acid?
6,6-dimethylbenzo[c]chromene-9-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylbenzo[c]chromene-9-carboxylic acid is sourced from PubChem (CID 90880193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).