4-methylidene-2,3-dihydrochromene-5,7-diol

C10H10O3 — CID 176717402

IUPAC4-methylidene-2,3-dihydrochromene-5,7-diol
SMILESC=C1CCOc2cc(O)cc(O)c21
InChIInChI=1S/C10H10O3/c1-6-2-3-13-9-5-7(11)4-8(12)10(6)9/h4-5,11-12H,1-3H2
InChIKeyCDQNMFNEKWLOCI-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.89
Rot. Bonds

About 4-methylidene-2,3-dihydrochromene-5,7-diol

4-methylidene-2,3-dihydrochromene-5,7-diol (PubChem CID 176717402) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methylidene-2,3-dihydrochromene-5,7-diol.

Molecular Properties

Compound Name4-methylidene-2,3-dihydrochromene-5,7-diol
PubChem CID176717402
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-methylidene-2,3-dihydrochromene-5,7-diol
SMILESC=C1CCOc2cc(O)cc(O)c21
InChIInChI=1S/C10H10O3/c1-6-2-3-13-9-5-7(11)4-8(12)10(6)9/h4-5,11-12H,1-3H2
InChIKeyCDQNMFNEKWLOCI-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,3-dihydrochromene-5,7-diol?
The IUPAC name of 4-methylidene-2,3-dihydrochromene-5,7-diol (CID 176717402) is 4-methylidene-2,3-dihydrochromene-5,7-diol.
What is the SMILES notation for 4-methylidene-2,3-dihydrochromene-5,7-diol?
The canonical SMILES for 4-methylidene-2,3-dihydrochromene-5,7-diol is C=C1CCOc2cc(O)cc(O)c21.
What is the InChIKey of 4-methylidene-2,3-dihydrochromene-5,7-diol?
The InChIKey is CDQNMFNEKWLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-2-3-13-9-5-7(11)4-8(12)10(6)9/h4-5,11-12H,1-3H2.
What are the key properties of 4-methylidene-2,3-dihydrochromene-5,7-diol?
4-methylidene-2,3-dihydrochromene-5,7-diol has a molecular weight of 178.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,3-dihydrochromene-5,7-diol is sourced from PubChem (CID 176717402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).