2,3-dimethyl-2H-chromen-4-ol

C11H12O2 — CID 18337475

IUPAC2,3-dimethyl-2H-chromen-4-ol
SMILESCC1=C(O)c2ccccc2OC1C
InChIInChI=1S/C11H12O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6,8,12H,1-2H3
InChIKeyKUSPXYZMNNGZND-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.76
Rot. Bonds

About 2,3-dimethyl-2H-chromen-4-ol

2,3-dimethyl-2H-chromen-4-ol (PubChem CID 18337475) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,3-dimethyl-2H-chromen-4-ol.

Molecular Properties

Compound Name2,3-dimethyl-2H-chromen-4-ol
PubChem CID18337475
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2,3-dimethyl-2H-chromen-4-ol
SMILESCC1=C(O)c2ccccc2OC1C
InChIInChI=1S/C11H12O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6,8,12H,1-2H3
InChIKeyKUSPXYZMNNGZND-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2H-chromen-4-ol?
The IUPAC name of 2,3-dimethyl-2H-chromen-4-ol (CID 18337475) is 2,3-dimethyl-2H-chromen-4-ol.
What is the SMILES notation for 2,3-dimethyl-2H-chromen-4-ol?
The canonical SMILES for 2,3-dimethyl-2H-chromen-4-ol is CC1=C(O)c2ccccc2OC1C.
What is the InChIKey of 2,3-dimethyl-2H-chromen-4-ol?
The InChIKey is KUSPXYZMNNGZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6,8,12H,1-2H3.
What are the key properties of 2,3-dimethyl-2H-chromen-4-ol?
2,3-dimethyl-2H-chromen-4-ol has a molecular weight of 176.22 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2H-chromen-4-ol is sourced from PubChem (CID 18337475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).