5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol

C11H14O2 — CID 5211612

IUPAC5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol
SMILESCc1cc(O)c(C)c2c1OCCC2
InChIInChI=1S/C11H14O2/c1-7-6-10(12)8(2)9-4-3-5-13-11(7)9/h6,12H,3-5H2,1-2H3
InChIKeyFGKYZIHPQOCEET-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.33
Rot. Bonds

About 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol

5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 5211612) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol
PubChem CID5211612
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol
SMILESCc1cc(O)c(C)c2c1OCCC2
InChIInChI=1S/C11H14O2/c1-7-6-10(12)8(2)9-4-3-5-13-11(7)9/h6,12H,3-5H2,1-2H3
InChIKeyFGKYZIHPQOCEET-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol (CID 5211612) is 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol is Cc1cc(O)c(C)c2c1OCCC2.
What is the InChIKey of 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is FGKYZIHPQOCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-6-10(12)8(2)9-4-3-5-13-11(7)9/h6,12H,3-5H2,1-2H3.
What are the key properties of 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol?
5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 178.23 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 5211612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).