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

C9H9ClO2 — CID 84659825

IUPAC8-chloro-3,4-dihydro-2H-chromen-6-ol
SMILESOc1cc(Cl)c2c(c1)CCCO2
InChIInChI=1S/C9H9ClO2/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,11H,1-3H2
InChIKeyJFYSCJIZEHZELE-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.37
Rot. Bonds

About 8-chloro-3,4-dihydro-2H-chromen-6-ol

8-chloro-3,4-dihydro-2H-chromen-6-ol (PubChem CID 84659825) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 8-chloro-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name8-chloro-3,4-dihydro-2H-chromen-6-ol
PubChem CID84659825
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name8-chloro-3,4-dihydro-2H-chromen-6-ol
SMILESOc1cc(Cl)c2c(c1)CCCO2
InChIInChI=1S/C9H9ClO2/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,11H,1-3H2
InChIKeyJFYSCJIZEHZELE-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22903786
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9-chloro-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid
CID 57367897
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
CID 165122996
methyl 6-(8-chloro-3,4-dihydro-2H-chromen-6-yl)pyrimidine-4-carboxylate
CID 71282677
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 130658252

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 8-chloro-3,4-dihydro-2H-chromen-6-ol (CID 84659825) is 8-chloro-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 8-chloro-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 8-chloro-3,4-dihydro-2H-chromen-6-ol is Oc1cc(Cl)c2c(c1)CCCO2.
What is the InChIKey of 8-chloro-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is JFYSCJIZEHZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,11H,1-3H2.
What are the key properties of 8-chloro-3,4-dihydro-2H-chromen-6-ol?
8-chloro-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 184.62 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 84659825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).