3,4-dihydro-2H-chromene-3-carboxylic acid

C20H20O6 — CID 162072408

IUPAC3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccccc2C1.O=C(O)C1COc2ccccc2C1
InChIInChI=1S/2C10H10O3/c2*11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h2*1-4,8H,5-6H2,(H,11,12)
InChIKeyZBGMXUGIAPTAEA-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.64
Rot. Bonds2

About 3,4-dihydro-2H-chromene-3-carboxylic acid

3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 162072408) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID162072408
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1COc2ccccc2C1.O=C(O)C1COc2ccccc2C1
InChIInChI=1S/2C10H10O3/c2*11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h2*1-4,8H,5-6H2,(H,11,12)
InChIKeyZBGMXUGIAPTAEA-UHFFFAOYSA-N
XLogP2.64
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
2-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814303
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
1-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopropane-1-carboxylic acid
CID 65453008
(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid
CID 124513542
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
2-[tert-butyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]acetic acid
CID 79265135
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 3,4-dihydro-2H-chromene-3-carboxylic acid (CID 162072408) is 3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1COc2ccccc2C1.O=C(O)C1COc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is ZBGMXUGIAPTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10O3/c2*11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h2*1-4,8H,5-6H2,(H,11,12).
What are the key properties of 3,4-dihydro-2H-chromene-3-carboxylic acid?
3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 356.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 162072408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).