2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione

C19H16O4 — CID 139943537

IUPAC2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione
SMILESCOc1cccc(COCC2=CC(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H16O4/c1-22-15-6-4-5-13(9-15)11-23-12-14-10-18(20)16-7-2-3-8-17(16)19(14)21/h2-10H,11-12H2,1H3
InChIKeyUEFCXAFEQDGVRC-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.22
Rot. Bonds5

About 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione

2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione (PubChem CID 139943537) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione
PubChem CID139943537
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione
SMILESCOc1cccc(COCC2=CC(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H16O4/c1-22-15-6-4-5-13(9-15)11-23-12-14-10-18(20)16-7-2-3-8-17(16)19(14)21/h2-10H,11-12H2,1H3
InChIKeyUEFCXAFEQDGVRC-UHFFFAOYSA-N
XLogP3.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
CID 58202110
2-chloro-3-[2-(3-methoxyphenyl)ethylamino]naphthalene-1,4-dione
CID 142721281
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
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1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
1-methoxy-3,5-bis(phenylmethoxymethyl)benzene
CID 22899511
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
2-fluoro-5-[(3-methoxyphenyl)methoxymethyl]benzonitrile
CID 107882155
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CID 20702839

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione?
The IUPAC name of 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione (CID 139943537) is 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione is COc1cccc(COCC2=CC(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione?
The InChIKey is UEFCXAFEQDGVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-22-15-6-4-5-13(9-15)11-23-12-14-10-18(20)16-7-2-3-8-17(16)19(14)21/h2-10H,11-12H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione?
2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione has a molecular weight of 308.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxymethyl]naphthalene-1,4-dione is sourced from PubChem (CID 139943537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).