1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid

C16H14O3 — CID 91616035

IUPAC1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid
SMILESCc1cccc2c1-c1cc(C(=O)O)ccc1C(C)O2
InChIInChI=1S/C16H14O3/c1-9-4-3-5-14-15(9)13-8-11(16(17)18)6-7-12(13)10(2)19-14/h3-8,10H,1-2H3,(H,17,18)
InChIKeyXIODQUBUUSAVMU-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.81
Rot. Bonds1

About 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid

1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid (PubChem CID 91616035) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid
PubChem CID91616035
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid
SMILESCc1cccc2c1-c1cc(C(=O)O)ccc1C(C)O2
InChIInChI=1S/C16H14O3/c1-9-4-3-5-14-15(9)13-8-11(16(17)18)6-7-12(13)10(2)19-14/h3-8,10H,1-2H3,(H,17,18)
InChIKeyXIODQUBUUSAVMU-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-5-methyl-9H-fluorene-2-carboxylic acid
CID 82578547
4-(2,6-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58407461
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
4-(2,3-dichlorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58407555
(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744
(1R,8R)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 101172499
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 139199918
1-hydroxy-3-methylidene-1H-2-benzofuran-5-carboxylic acid
CID 126753067
4-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 81475809
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid
CID 58407207

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid?
The IUPAC name of 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid (CID 91616035) is 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid is Cc1cccc2c1-c1cc(C(=O)O)ccc1C(C)O2.
What is the InChIKey of 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid?
The InChIKey is XIODQUBUUSAVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-9-4-3-5-14-15(9)13-8-11(16(17)18)6-7-12(13)10(2)19-14/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid?
1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid is sourced from PubChem (CID 91616035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).