1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine

C16H10Cl2N2O2 — CID 13257906

IUPAC1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine
SMILESCOc1ccc2oc3c(C)cc4c(Cl)nnc(Cl)c4c3c2c1
InChIInChI=1S/C16H10Cl2N2O2/c1-7-5-10-13(16(18)20-19-15(10)17)12-9-6-8(21-2)3-4-11(9)22-14(7)12/h3-6H,1-2H3
InChIKeyZZTYWRXZEKDPSB-UHFFFAOYSA-N
MW333.17 g/mol
LogP5.15
Rot. Bonds1

About 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine

1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine (PubChem CID 13257906) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine.

Molecular Properties

Compound Name1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine
PubChem CID13257906
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine
SMILESCOc1ccc2oc3c(C)cc4c(Cl)nnc(Cl)c4c3c2c1
InChIInChI=1S/C16H10Cl2N2O2/c1-7-5-10-13(16(18)20-19-15(10)17)12-9-6-8(21-2)3-4-11(9)22-14(7)12/h3-6H,1-2H3
InChIKeyZZTYWRXZEKDPSB-UHFFFAOYSA-N
XLogP5.15
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.17
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
CID 86612224
2-(2-hydroxyethyl)-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
CID 155806397
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine
CID 86612211
1-chloro-7-methoxyphthalazine
CID 15271578
2-methoxy-7-methyldibenzofuran
CID 122387372
3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
CID 102407236
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
CID 28924769
4-chloro-1-[4-(chloromethyl)phenyl]-6-methoxyphthalazine
CID 86612230
7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 144582480
1-(4-chlorophenyl)-8-methoxy-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
CID 45035488

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine?
The IUPAC name of 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine (CID 13257906) is 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine.
What is the SMILES notation for 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine?
The canonical SMILES for 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine is COc1ccc2oc3c(C)cc4c(Cl)nnc(Cl)c4c3c2c1.
What is the InChIKey of 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine?
The InChIKey is ZZTYWRXZEKDPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c1-7-5-10-13(16(18)20-19-15(10)17)12-9-6-8(21-2)3-4-11(9)22-14(7)12/h3-6H,1-2H3.
What are the key properties of 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine?
1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine has a molecular weight of 333.17 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-10-methoxy-6-methyl-[1]benzofuro[3,2-f]phthalazine is sourced from PubChem (CID 13257906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).