4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione

C18H16O2S — CID 11483337

IUPAC4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione
SMILESCc1ccccc1COc1ccc2c(C)cc(=S)oc2c1
InChIInChI=1S/C18H16O2S/c1-12-5-3-4-6-14(12)11-19-15-7-8-16-13(2)9-18(21)20-17(16)10-15/h3-10H,11H2,1-2H3
InChIKeyMBCKBKYYKSPNLH-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.36
Rot. Bonds3

About 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione

4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione (PubChem CID 11483337) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione.

Molecular Properties

Compound Name4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione
PubChem CID11483337
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione
SMILESCc1ccccc1COc1ccc2c(C)cc(=S)oc2c1
InChIInChI=1S/C18H16O2S/c1-12-5-3-4-6-14(12)11-19-15-7-8-16-13(2)9-18(21)20-17(16)10-15/h3-10H,11H2,1-2H3
InChIKeyMBCKBKYYKSPNLH-UHFFFAOYSA-N
XLogP5.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-[(4-nitrophenyl)methoxy]chromene-2-thione
CID 11771779
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840
7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one
CID 31905824
4-methyl-7-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methoxy]chromen-2-one
CID 10063752
2-fluoro-5-[(2-methylphenyl)methoxy]pyridine
CID 115282967
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
4-ethyl-7-methoxychromene-2-thione
CID 39732354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione?
The IUPAC name of 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione (CID 11483337) is 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione.
What is the SMILES notation for 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione?
The canonical SMILES for 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione is Cc1ccccc1COc1ccc2c(C)cc(=S)oc2c1.
What is the InChIKey of 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione?
The InChIKey is MBCKBKYYKSPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-12-5-3-4-6-14(12)11-19-15-7-8-16-13(2)9-18(21)20-17(16)10-15/h3-10H,11H2,1-2H3.
What are the key properties of 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione?
4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione has a molecular weight of 296.39 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione is sourced from PubChem (CID 11483337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).