3,4-dihydro-2H-chromene-2-carbonyl chloride

C10H9ClO2 — CID 2794583

IUPAC3,4-dihydro-2H-chromene-2-carbonyl chloride
SMILESO=C(Cl)C1CCc2ccccc2O1
InChIInChI=1S/C10H9ClO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2
InChIKeyUXOHRZNOVPCNMD-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.15
Rot. Bonds1

About 3,4-dihydro-2H-chromene-2-carbonyl chloride

3,4-dihydro-2H-chromene-2-carbonyl chloride (PubChem CID 2794583) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-2-carbonyl chloride.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-2-carbonyl chloride
PubChem CID2794583
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name3,4-dihydro-2H-chromene-2-carbonyl chloride
SMILESO=C(Cl)C1CCc2ccccc2O1
InChIInChI=1S/C10H9ClO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2
InChIKeyUXOHRZNOVPCNMD-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CID 2723665
(2S)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
CID 6933105
2-(2-Methoxyphenyl)acetyl chloride
CID 179502
3,4-dihydro-2H-1-benzopyran-3-one
CID 11137321
1-(6-Fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 57756974
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 16755387
2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, methyl ester
CID 18614917
4-oxo-4H-1-benzopyran-2-carbonyl chloride
CID 78788
Butanoyl chloride, 2-(3-pentadecylphenoxy)-
CID 112508
2,3-Dihydro-benzofuran-2-carbonyl chloride
CID 2795427
(R)-chroman-2-carboxylic acid
CID 6933107
4-Benzyloxyphenylacetyl Chloride
CID 11357442

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-2-carbonyl chloride?
The IUPAC name of 3,4-dihydro-2H-chromene-2-carbonyl chloride (CID 2794583) is 3,4-dihydro-2H-chromene-2-carbonyl chloride.
What is the SMILES notation for 3,4-dihydro-2H-chromene-2-carbonyl chloride?
The canonical SMILES for 3,4-dihydro-2H-chromene-2-carbonyl chloride is O=C(Cl)C1CCc2ccccc2O1.
What is the InChIKey of 3,4-dihydro-2H-chromene-2-carbonyl chloride?
The InChIKey is UXOHRZNOVPCNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2.
What are the key properties of 3,4-dihydro-2H-chromene-2-carbonyl chloride?
3,4-dihydro-2H-chromene-2-carbonyl chloride has a molecular weight of 196.63 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-2-carbonyl chloride is sourced from PubChem (CID 2794583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).