3,4-dihydro-2H-chromene-6,8-diol

C9H10O3 — CID 22903786

IUPAC3,4-dihydro-2H-chromene-6,8-diol
SMILESOc1cc(O)c2c(c1)CCCO2
InChIInChI=1S/C9H10O3/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,10-11H,1-3H2
InChIKeyFKJFJIHWCXFIAB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.42
Rot. Bonds

About 3,4-dihydro-2H-chromene-6,8-diol

3,4-dihydro-2H-chromene-6,8-diol (PubChem CID 22903786) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-6,8-diol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-6,8-diol
PubChem CID22903786
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3,4-dihydro-2H-chromene-6,8-diol
SMILESOc1cc(O)c2c(c1)CCCO2
InChIInChI=1S/C9H10O3/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,10-11H,1-3H2
InChIKeyFKJFJIHWCXFIAB-UHFFFAOYSA-N
XLogP1.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-3,4-dihydro-2H-chromen-6-ol
CID 84659825
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
5-fluoro-2,3-dihydro-1-benzofuran-7-ol
CID 11788407
6-methyl-3,4-dihydro-2H-chromene-5,8-diol
CID 168996294
8-fluoro-3,4-dihydro-2H-chromen-7-ol
CID 101361843
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433
9-chloro-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid
CID 57367897
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methanol
CID 55252783
8-iodo-6-methyl-3,4-dihydro-2H-chromene
CID 59113741
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-6,8-diol?
The IUPAC name of 3,4-dihydro-2H-chromene-6,8-diol (CID 22903786) is 3,4-dihydro-2H-chromene-6,8-diol.
What is the SMILES notation for 3,4-dihydro-2H-chromene-6,8-diol?
The canonical SMILES for 3,4-dihydro-2H-chromene-6,8-diol is Oc1cc(O)c2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene-6,8-diol?
The InChIKey is FKJFJIHWCXFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,10-11H,1-3H2.
What are the key properties of 3,4-dihydro-2H-chromene-6,8-diol?
3,4-dihydro-2H-chromene-6,8-diol has a molecular weight of 166.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-6,8-diol is sourced from PubChem (CID 22903786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).