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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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).