6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid

C11H11ClO3 — CID 103947047

IUPAC6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1cc(Cl)cc2c1OCC(C(=O)O)C2
InChIInChI=1S/C11H11ClO3/c1-6-2-9(12)4-7-3-8(11(13)14)5-15-10(6)7/h2,4,8H,3,5H2,1H3,(H,13,14)
InChIKeyZUUONCYQBRICSF-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.28
Rot. Bonds1

About 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid

6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 103947047) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID103947047
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCc1cc(Cl)cc2c1OCC(C(=O)O)C2
InChIInChI=1S/C11H11ClO3/c1-6-2-9(12)4-7-3-8(11(13)14)5-15-10(6)7/h2,4,8H,3,5H2,1H3,(H,13,14)
InChIKeyZUUONCYQBRICSF-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

ethyl 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylate
CID 170902591
6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 103351509
1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine
CID 157437052
6,7-dimethyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 82610365
ethyl (3S)-6,8-dichloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334082
7-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130058794
5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130061481
1-(5-chloro-7-methyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456202
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(3S)-8-iodo-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130729134
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 103947047) is 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid is Cc1cc(Cl)cc2c1OCC(C(=O)O)C2.
What is the InChIKey of 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is ZUUONCYQBRICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-6-2-9(12)4-7-3-8(11(13)14)5-15-10(6)7/h2,4,8H,3,5H2,1H3,(H,13,14).
What are the key properties of 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 103947047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).