2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one

C19H22O4 — CID 143282208

IUPAC2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one
SMILESCC/C=C\C(=O)C(C)(C)C1=C(O)C(=O)c2ccc(OC)cc2C1
InChIInChI=1S/C19H22O4/c1-5-6-7-16(20)19(2,3)15-11-12-10-13(23-4)8-9-14(12)17(21)18(15)22/h6-10,22H,5,11H2,1-4H3/b7-6-
InChIKeySVSVBOCXRQSUHT-SREVYHEPSA-N
MW314.38 g/mol
LogP3.81
Rot. Bonds5

About 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one

2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one (PubChem CID 143282208) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one
PubChem CID143282208
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one
SMILESCC/C=C\C(=O)C(C)(C)C1=C(O)C(=O)c2ccc(OC)cc2C1
InChIInChI=1S/C19H22O4/c1-5-6-7-16(20)19(2,3)15-11-12-10-13(23-4)8-9-14(12)17(21)18(15)22/h6-10,22H,5,11H2,1-4H3/b7-6-
InChIKeySVSVBOCXRQSUHT-SREVYHEPSA-N
XLogP3.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one?
The IUPAC name of 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one (CID 143282208) is 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one.
What is the SMILES notation for 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one?
The canonical SMILES for 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one is CC/C=C\C(=O)C(C)(C)C1=C(O)C(=O)c2ccc(OC)cc2C1.
What is the InChIKey of 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one?
The InChIKey is SVSVBOCXRQSUHT-SREVYHEPSA-N. The full InChI is InChI=1S/C19H22O4/c1-5-6-7-16(20)19(2,3)15-11-12-10-13(23-4)8-9-14(12)17(21)18(15)22/h6-10,22H,5,11H2,1-4H3/b7-6-.
What are the key properties of 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one?
2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one has a molecular weight of 314.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-3-[(Z)-2-methyl-3-oxohept-4-en-2-yl]-4H-naphthalen-1-one is sourced from PubChem (CID 143282208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).