3-methyl-2,4-dihydrochromen-3-ol

C10H12O2 — CID 71345229

IUPAC3-methyl-2,4-dihydrochromen-3-ol
SMILESCC1(O)COc2ccccc2C1
InChIInChI=1S/C10H12O2/c1-10(11)6-8-4-2-3-5-9(8)12-7-10/h2-5,11H,6-7H2,1H3
InChIKeyQPBJXWYXPAYROT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.37
Rot. Bonds

About 3-methyl-2,4-dihydrochromen-3-ol

3-methyl-2,4-dihydrochromen-3-ol (PubChem CID 71345229) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-methyl-2,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name3-methyl-2,4-dihydrochromen-3-ol
PubChem CID71345229
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-methyl-2,4-dihydrochromen-3-ol
SMILESCC1(O)COc2ccccc2C1
InChIInChI=1S/C10H12O2/c1-10(11)6-8-4-2-3-5-9(8)12-7-10/h2-5,11H,6-7H2,1H3
InChIKeyQPBJXWYXPAYROT-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dihydrochromen-3-ol?
The IUPAC name of 3-methyl-2,4-dihydrochromen-3-ol (CID 71345229) is 3-methyl-2,4-dihydrochromen-3-ol.
What is the SMILES notation for 3-methyl-2,4-dihydrochromen-3-ol?
The canonical SMILES for 3-methyl-2,4-dihydrochromen-3-ol is CC1(O)COc2ccccc2C1.
What is the InChIKey of 3-methyl-2,4-dihydrochromen-3-ol?
The InChIKey is QPBJXWYXPAYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(11)6-8-4-2-3-5-9(8)12-7-10/h2-5,11H,6-7H2,1H3.
What are the key properties of 3-methyl-2,4-dihydrochromen-3-ol?
3-methyl-2,4-dihydrochromen-3-ol has a molecular weight of 164.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dihydrochromen-3-ol is sourced from PubChem (CID 71345229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).