(4S)-4-methyl-3,4-dihydrochromen-2-one

C10H10O2 — CID 11378664

IUPAC(4S)-4-methyl-3,4-dihydrochromen-2-one
SMILESC[C@H]1CC(=O)Oc2ccccc21
InChIInChI=1S/C10H10O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyKMCGEYKRTBLDNR-ZETCQYMHSA-N
MW162.19 g/mol
LogP2.10
Rot. Bonds

About (4S)-4-methyl-3,4-dihydrochromen-2-one

(4S)-4-methyl-3,4-dihydrochromen-2-one (PubChem CID 11378664) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4S)-4-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-3,4-dihydrochromen-2-one
PubChem CID11378664
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4S)-4-methyl-3,4-dihydrochromen-2-one
SMILESC[C@H]1CC(=O)Oc2ccccc21
InChIInChI=1S/C10H10O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyKMCGEYKRTBLDNR-ZETCQYMHSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4S)-4-methyl-3,4-dihydrochromen-2-one (CID 11378664) is (4S)-4-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4S)-4-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4S)-4-methyl-3,4-dihydrochromen-2-one is C[C@H]1CC(=O)Oc2ccccc21.
What is the InChIKey of (4S)-4-methyl-3,4-dihydrochromen-2-one?
The InChIKey is KMCGEYKRTBLDNR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-methyl-3,4-dihydrochromen-2-one?
(4S)-4-methyl-3,4-dihydrochromen-2-one has a molecular weight of 162.19 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 11378664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).