4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one

C18H14N2O3S — CID 123536629

IUPAC4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one
SMILESCOc1cc(C2NC(=S)N=C3c4ccccc4C(=O)C32)ccc1O
InChIInChI=1S/C18H14N2O3S/c1-23-13-8-9(6-7-12(13)21)15-14-16(20-18(24)19-15)10-4-2-3-5-11(10)17(14)22/h2-8,14-15,21H,1H3,(H,19,24)
InChIKeyXBFPNFJKAWCJDE-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one

4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one (PubChem CID 123536629) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one
PubChem CID123536629
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one
SMILESCOc1cc(C2NC(=S)N=C3c4ccccc4C(=O)C32)ccc1O
InChIInChI=1S/C18H14N2O3S/c1-23-13-8-9(6-7-12(13)21)15-14-16(20-18(24)19-15)10-4-2-3-5-11(10)17(14)22/h2-8,14-15,21H,1H3,(H,19,24)
InChIKeyXBFPNFJKAWCJDE-UHFFFAOYSA-N
XLogP2.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-prop-2-enoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one
CID 123220486
(3S,4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 101033464
methyl (4R)-4-(4-methoxy-3-methylphenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 7313169
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 1109453
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
CID 4019771
methyl (3R,4R)-4-(3-bromo-4-hydroxyphenyl)-2-methylidene-5-oxo-4,4a-dihydro-3H-indeno[1,2-b]pyridine-3-carboxylate
CID 7009309
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one (CID 123536629) is 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one is COc1cc(C2NC(=S)N=C3c4ccccc4C(=O)C32)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one?
The InChIKey is XBFPNFJKAWCJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-23-13-8-9(6-7-12(13)21)15-14-16(20-18(24)19-15)10-4-2-3-5-11(10)17(14)22/h2-8,14-15,21H,1H3,(H,19,24).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one?
4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one has a molecular weight of 338.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-2-sulfanylidene-4,4a-dihydro-3H-indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 123536629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).