2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one

C19H16Cl2O4 — CID 134876806

IUPAC2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one
SMILESCOc1cc(C)c(OC)c(C2(O)C(Cl)=C(Cl)C(=O)c3ccccc32)c1
InChIInChI=1S/C19H16Cl2O4/c1-10-8-11(24-2)9-14(17(10)25-3)19(23)13-7-5-4-6-12(13)16(22)15(20)18(19)21/h4-9,23H,1-3H3
InChIKeyBGWSTIAXPJYJMP-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.13
Rot. Bonds3

About 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one

2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one (PubChem CID 134876806) has the molecular formula C19H16Cl2O4 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one
PubChem CID134876806
Molecular FormulaC19H16Cl2O4
Molecular Weight379.24 g/mol
Exact Mass378.04
IUPAC Name2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one
SMILESCOc1cc(C)c(OC)c(C2(O)C(Cl)=C(Cl)C(=O)c3ccccc32)c1
InChIInChI=1S/C19H16Cl2O4/c1-10-8-11(24-2)9-14(17(10)25-3)19(23)13-7-5-4-6-12(13)16(22)15(20)18(19)21/h4-9,23H,1-3H3
InChIKeyBGWSTIAXPJYJMP-UHFFFAOYSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(2,5-dimethoxy-3-methylphenyl)naphthalene-1,2-dione
CID 134936402
(2E)-3-hydroxy-2-[1-hydroxy-1-(4-methylphenyl)-3-oxoinden-2-ylidene]-3-(4-methylphenyl)inden-1-one
CID 102399421
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
4-chloro-N-(2,3-dichloro-1-methoxy-4-oxonaphthalen-1-yl)benzenesulfonamide
CID 3093672
2-chloro-3-methoxynaphthalene-1,4-dione;2,3-dimethoxynaphthalene-1,4-dione
CID 70468705
N-(2,3-dichloro-1-dimethoxyphosphoryl-4-oxonaphthalen-1-yl)benzenesulfonamide
CID 3401644
10-hydroperoxy-10-methoxyanthracen-9-one
CID 12601747
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
2-chloro-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 4184980

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one?
The IUPAC name of 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one (CID 134876806) is 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one.
What is the SMILES notation for 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one?
The canonical SMILES for 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one is COc1cc(C)c(OC)c(C2(O)C(Cl)=C(Cl)C(=O)c3ccccc32)c1.
What is the InChIKey of 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one?
The InChIKey is BGWSTIAXPJYJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O4/c1-10-8-11(24-2)9-14(17(10)25-3)19(23)13-7-5-4-6-12(13)16(22)15(20)18(19)21/h4-9,23H,1-3H3.
What are the key properties of 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one?
2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one has a molecular weight of 379.24 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2,5-dimethoxy-3-methylphenyl)-4-hydroxynaphthalen-1-one is sourced from PubChem (CID 134876806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).