6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid

C12H14O3 — CID 82610365

IUPAC6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1cc2c(cc1C)OCC(C(=O)O)C2
InChIInChI=1S/C12H14O3/c1-7-3-9-5-10(12(13)14)6-15-11(9)4-8(7)2/h3-4,10H,5-6H2,1-2H3,(H,13,14)
InChIKeyDTYTWEVCWRMMFC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.94
Rot. Bonds1

About 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid

6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 82610365) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID82610365
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1cc2c(cc1C)OCC(C(=O)O)C2
InChIInChI=1S/C12H14O3/c1-7-3-9-5-10(12(13)14)6-15-11(9)4-8(7)2/h3-4,10H,5-6H2,1-2H3,(H,13,14)
InChIKeyDTYTWEVCWRMMFC-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 58164198
6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 103947047
(3S)-6-chlorosulfonyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 98119594
(3S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 97028374
6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 16788179
7-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130058794
6-(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 167960702
1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354801
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
6-[5-(methoxymethyl)thiophen-3-yl]-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 167796674

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 82610365) is 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid is Cc1cc2c(cc1C)OCC(C(=O)O)C2.
What is the InChIKey of 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is DTYTWEVCWRMMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-3-9-5-10(12(13)14)6-15-11(9)4-8(7)2/h3-4,10H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 82610365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).