3-methyl-3,4-dihydro-2H-chromen-4-ol

C10H12O2 — CID 11858753

IUPAC3-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCC1COc2ccccc2C1O
InChIInChI=1S/C10H12O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10-11H,6H2,1H3
InChIKeyPKGYKTZZIIPJSD-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.75
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-chromen-4-ol

3-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 11858753) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID11858753
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCC1COc2ccccc2C1O
InChIInChI=1S/C10H12O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10-11H,6H2,1H3
InChIKeyPKGYKTZZIIPJSD-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-methyl-3,4-dihydro-2H-chromen-4-ol (CID 11858753) is 3-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-chromen-4-ol is CC1COc2ccccc2C1O.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PKGYKTZZIIPJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10-11H,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydro-2H-chromen-4-ol?
3-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 164.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 11858753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).