1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one

C23H19Cl2NO3 — CID 18466455

IUPAC1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one
SMILESCC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(OCOCc3ccccc3)cc21
InChIInChI=1S/C23H19Cl2NO3/c1-23(2)16-10-15(29-13-28-12-14-6-4-3-5-7-14)8-9-18(16)26-19-11-17(24)22(27)21(25)20(19)23/h3-11H,12-13H2,1-2H3
InChIKeyYRPHZTMTNZCIBF-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.80
Rot. Bonds5

About 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one

1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one (PubChem CID 18466455) has the molecular formula C23H19Cl2NO3 and a molecular weight of 428.32 g/mol. Its IUPAC name is 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one.

Molecular Properties

Compound Name1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one
PubChem CID18466455
Molecular FormulaC23H19Cl2NO3
Molecular Weight428.32 g/mol
Exact Mass427.07
IUPAC Name1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one
SMILESCC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(OCOCc3ccccc3)cc21
InChIInChI=1S/C23H19Cl2NO3/c1-23(2)16-10-15(29-13-28-12-14-6-4-3-5-7-14)8-9-18(16)26-19-11-17(24)22(27)21(25)20(19)23/h3-11H,12-13H2,1-2H3
InChIKeyYRPHZTMTNZCIBF-UHFFFAOYSA-N
XLogP5.80
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trimethyl-5-phenylmethoxyindole
CID 153467530
3-[2-[2-[2-[2-[3-[[1-[[2-[4-[(6-chloro-8-ethyl-9,9-dimethyl-7-oxoacridin-2-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177028494
2-chloro-1-nitro-4-(phenylmethoxymethoxy)benzene
CID 104597857
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
3,3-dimethyl-5-phenylmethoxy-1-benzofuran-2-one
CID 563751
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
methyl 4-[4-[[3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indol-3-yl]methyl]phenoxy]butanoate
CID 167478465

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one?
The IUPAC name of 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one (CID 18466455) is 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one.
What is the SMILES notation for 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one?
The canonical SMILES for 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one is CC1(C)C2=C(Cl)C(=O)C(Cl)=CC2=Nc2ccc(OCOCc3ccccc3)cc21.
What is the InChIKey of 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one?
The InChIKey is YRPHZTMTNZCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO3/c1-23(2)16-10-15(29-13-28-12-14-6-4-3-5-7-14)8-9-18(16)26-19-11-17(24)22(27)21(25)20(19)23/h3-11H,12-13H2,1-2H3.
What are the key properties of 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one?
1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one has a molecular weight of 428.32 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-9,9-dimethyl-7-(phenylmethoxymethoxy)acridin-2-one is sourced from PubChem (CID 18466455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).