6-chloro-3,4-dihydro-2H-chromen-4-ol

C9H9ClO2 — CID 15148408

IUPAC6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2
InChIKeyDTXFWMLTXBVKIG-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.16
Rot. Bonds

About 6-chloro-3,4-dihydro-2H-chromen-4-ol

6-chloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 15148408) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID15148408
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2
InChIKeyDTXFWMLTXBVKIG-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-3,4-dihydro-2H-chromen-4-ol (CID 15148408) is 6-chloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-chromen-4-ol is OC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is DTXFWMLTXBVKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2.
What are the key properties of 6-chloro-3,4-dihydro-2H-chromen-4-ol?
6-chloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 184.62 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 15148408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).