2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione

C17H11ClO3 — CID 139943473

IUPAC2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione
SMILESO=C1C=C(OCc2ccc(Cl)cc2)C(=O)c2ccccc21
InChIInChI=1S/C17H11ClO3/c18-12-7-5-11(6-8-12)10-21-16-9-15(19)13-3-1-2-4-14(13)17(16)20/h1-9H,10H2
InChIKeySOXQWHHAZXOTEK-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.82
Rot. Bonds3

About 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione

2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione (PubChem CID 139943473) has the molecular formula C17H11ClO3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione
PubChem CID139943473
Molecular FormulaC17H11ClO3
Molecular Weight298.73 g/mol
Exact Mass298.04
IUPAC Name2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione
SMILESO=C1C=C(OCc2ccc(Cl)cc2)C(=O)c2ccccc21
InChIInChI=1S/C17H11ClO3/c18-12-7-5-11(6-8-12)10-21-16-9-15(19)13-3-1-2-4-14(13)17(16)20/h1-9H,10H2
InChIKeySOXQWHHAZXOTEK-UHFFFAOYSA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethoxy)naphthalene-1,4-dione
CID 139943369
(1,4-dioxonaphthalen-2-yl) formate
CID 175556159
2-[4-[(3-chlorophenyl)methoxy]anilino]naphthalene-1,4-dione
CID 162676522
2-(3-methyl-4-phosphanylbutoxy)naphthalene-1,4-dione
CID 144551872
4-[(4-chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione
CID 11067825
(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3H-inden-1-one
CID 126373740
2-[2-(3-chlorophenyl)ethyl]naphthalene-1,4-dione
CID 147060272
2-cyclopropyloxynaphthalene-1,4-dione
CID 139943522
2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406089
(1,4-dioxonaphthalen-2-yl) benzenesulfonate
CID 23275962
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
5-chloro-2-ethoxynaphthalene-1,4-dione
CID 19909044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione (CID 139943473) is 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione is O=C1C=C(OCc2ccc(Cl)cc2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione?
The InChIKey is SOXQWHHAZXOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO3/c18-12-7-5-11(6-8-12)10-21-16-9-15(19)13-3-1-2-4-14(13)17(16)20/h1-9H,10H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione?
2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione has a molecular weight of 298.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]naphthalene-1,4-dione is sourced from PubChem (CID 139943473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).