(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid

C11H12O4 — CID 7023638

IUPAC(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCOc1cccc2c1OC[C@H](C(=O)O)C2
InChIInChI=1S/C11H12O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-4,8H,5-6H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyFTXQMXYVEKCYAO-MRVPVSSYSA-N
MW208.21 g/mol
LogP1.33
Rot. Bonds2

About (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid

(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 7023638) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID7023638
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESCOc1cccc2c1OC[C@H](C(=O)O)C2
InChIInChI=1S/C11H12O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-4,8H,5-6H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyFTXQMXYVEKCYAO-MRVPVSSYSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-8-iodo-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130729134
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
(3S)-8-methoxy-N-(2-propylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115385
N-(5-tert-butyl-1,2-oxazol-3-yl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 156586272
(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97117554
(3R)-8-methoxy-N-(2-pyridin-2-ylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97148603
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92594770
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 72871709
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
9-methoxy-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxylic acid
CID 82388638
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779

Frequently Asked Questions

What is the IUPAC name of (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 7023638) is (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid is COc1cccc2c1OC[C@H](C(=O)O)C2.
What is the InChIKey of (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is FTXQMXYVEKCYAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-4,8H,5-6H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid?
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 7023638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).