2-(chloromethyl)-3,4-dihydrochromen-2-ol

C10H11ClO2 — CID 10307936

IUPAC2-(chloromethyl)-3,4-dihydrochromen-2-ol
SMILESOC1(CCl)CCc2ccccc2O1
InChIInChI=1S/C10H11ClO2/c11-7-10(12)6-5-8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2
InChIKeyZWEFDDRDBSAKNT-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.94
Rot. Bonds1

About 2-(chloromethyl)-3,4-dihydrochromen-2-ol

2-(chloromethyl)-3,4-dihydrochromen-2-ol (PubChem CID 10307936) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(chloromethyl)-3,4-dihydrochromen-2-ol.

Molecular Properties

Compound Name2-(chloromethyl)-3,4-dihydrochromen-2-ol
PubChem CID10307936
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-(chloromethyl)-3,4-dihydrochromen-2-ol
SMILESOC1(CCl)CCc2ccccc2O1
InChIInChI=1S/C10H11ClO2/c11-7-10(12)6-5-8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2
InChIKeyZWEFDDRDBSAKNT-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,4-dihydrochromen-2-ol?
The IUPAC name of 2-(chloromethyl)-3,4-dihydrochromen-2-ol (CID 10307936) is 2-(chloromethyl)-3,4-dihydrochromen-2-ol.
What is the SMILES notation for 2-(chloromethyl)-3,4-dihydrochromen-2-ol?
The canonical SMILES for 2-(chloromethyl)-3,4-dihydrochromen-2-ol is OC1(CCl)CCc2ccccc2O1.
What is the InChIKey of 2-(chloromethyl)-3,4-dihydrochromen-2-ol?
The InChIKey is ZWEFDDRDBSAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-7-10(12)6-5-8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2.
What are the key properties of 2-(chloromethyl)-3,4-dihydrochromen-2-ol?
2-(chloromethyl)-3,4-dihydrochromen-2-ol has a molecular weight of 198.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3,4-dihydrochromen-2-ol is sourced from PubChem (CID 10307936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).