(2S)-2-methyl-4H-chromen-3-one

C10H10O2 — CID 129362501

IUPAC(2S)-2-methyl-4H-chromen-3-one
SMILESC[C@@H]1Oc2ccccc2CC1=O
InChIInChI=1S/C10H10O2/c1-7-9(11)6-8-4-2-3-5-10(8)12-7/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyAZHFOZMCFQVLBA-ZETCQYMHSA-N
MW162.19 g/mol
LogP1.58
Rot. Bonds

About (2S)-2-methyl-4H-chromen-3-one

(2S)-2-methyl-4H-chromen-3-one (PubChem CID 129362501) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-methyl-4H-chromen-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-4H-chromen-3-one
PubChem CID129362501
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2S)-2-methyl-4H-chromen-3-one
SMILESC[C@@H]1Oc2ccccc2CC1=O
InChIInChI=1S/C10H10O2/c1-7-9(11)6-8-4-2-3-5-10(8)12-7/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyAZHFOZMCFQVLBA-ZETCQYMHSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4H-chromen-3-one?
The IUPAC name of (2S)-2-methyl-4H-chromen-3-one (CID 129362501) is (2S)-2-methyl-4H-chromen-3-one.
What is the SMILES notation for (2S)-2-methyl-4H-chromen-3-one?
The canonical SMILES for (2S)-2-methyl-4H-chromen-3-one is C[C@@H]1Oc2ccccc2CC1=O.
What is the InChIKey of (2S)-2-methyl-4H-chromen-3-one?
The InChIKey is AZHFOZMCFQVLBA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-9(11)6-8-4-2-3-5-10(8)12-7/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-4H-chromen-3-one?
(2S)-2-methyl-4H-chromen-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4H-chromen-3-one is sourced from PubChem (CID 129362501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).