6-methyl-3,4-dihydro-2H-chromene-5,8-diol

C10H12O3 — CID 168996294

IUPAC6-methyl-3,4-dihydro-2H-chromene-5,8-diol
SMILESCc1cc(O)c2c(c1O)CCCO2
InChIInChI=1S/C10H12O3/c1-6-5-8(11)10-7(9(6)12)3-2-4-13-10/h5,11-12H,2-4H2,1H3
InChIKeyGKEYSFVLRIZCRN-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.73
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-chromene-5,8-diol

6-methyl-3,4-dihydro-2H-chromene-5,8-diol (PubChem CID 168996294) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-chromene-5,8-diol.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-chromene-5,8-diol
PubChem CID168996294
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name6-methyl-3,4-dihydro-2H-chromene-5,8-diol
SMILESCc1cc(O)c2c(c1O)CCCO2
InChIInChI=1S/C10H12O3/c1-6-5-8(11)10-7(9(6)12)3-2-4-13-10/h5,11-12H,2-4H2,1H3
InChIKeyGKEYSFVLRIZCRN-UHFFFAOYSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-chromene-5,8-diol?
The IUPAC name of 6-methyl-3,4-dihydro-2H-chromene-5,8-diol (CID 168996294) is 6-methyl-3,4-dihydro-2H-chromene-5,8-diol.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-chromene-5,8-diol?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-chromene-5,8-diol is Cc1cc(O)c2c(c1O)CCCO2.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-chromene-5,8-diol?
The InChIKey is GKEYSFVLRIZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-5-8(11)10-7(9(6)12)3-2-4-13-10/h5,11-12H,2-4H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-chromene-5,8-diol?
6-methyl-3,4-dihydro-2H-chromene-5,8-diol has a molecular weight of 180.20 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-chromene-5,8-diol is sourced from PubChem (CID 168996294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).