4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride

C11H11ClO2 — CID 11074678

IUPAC4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride
SMILESCC1CCOc2ccc(C(=O)Cl)cc21
InChIInChI=1S/C11H11ClO2/c1-7-4-5-14-10-3-2-8(11(12)13)6-9(7)10/h2-3,6-7H,4-5H2,1H3
InChIKeyBOBMGJJXVUSBQI-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.95
Rot. Bonds1

About 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride

4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride (PubChem CID 11074678) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride
PubChem CID11074678
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride
SMILESCC1CCOc2ccc(C(=O)Cl)cc21
InChIInChI=1S/C11H11ClO2/c1-7-4-5-14-10-3-2-8(11(12)13)6-9(7)10/h2-3,6-7H,4-5H2,1H3
InChIKeyBOBMGJJXVUSBQI-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride?
The IUPAC name of 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride (CID 11074678) is 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride is CC1CCOc2ccc(C(=O)Cl)cc21.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride?
The InChIKey is BOBMGJJXVUSBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7-4-5-14-10-3-2-8(11(12)13)6-9(7)10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride?
4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride has a molecular weight of 210.66 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-2H-chromene-6-carbonyl chloride is sourced from PubChem (CID 11074678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).