1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane

C18H19ClN2O — CID 156651172

IUPAC1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane
SMILESCC.Cc1ccc2c(Cl)nnc(OCc3ccccc3)c2c1
InChIInChI=1S/C16H13ClN2O.C2H6/c1-11-7-8-13-14(9-11)16(19-18-15(13)17)20-10-12-5-3-2-4-6-12;1-2/h2-9H,10H2,1H3;1-2H3
InChIKeySMZBWPCKUDRGKP-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.20
Rot. Bonds3

About 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane

1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane (PubChem CID 156651172) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane.

Molecular Properties

Compound Name1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane
PubChem CID156651172
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane
SMILESCC.Cc1ccc2c(Cl)nnc(OCc3ccccc3)c2c1
InChIInChI=1S/C16H13ClN2O.C2H6/c1-11-7-8-13-14(9-11)16(19-18-15(13)17)20-10-12-5-3-2-4-6-12;1-2/h2-9H,10H2,1H3;1-2H3
InChIKeySMZBWPCKUDRGKP-UHFFFAOYSA-N
XLogP5.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-6-methyl-2-phenylmethoxynaphthalene
CID 143228673
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
CID 55041274
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
6-methyl-2-phenylmethoxy-3,1-benzoxazin-4-one
CID 10445679
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
4-chloro-5-ethyl-6-phenylmethoxypyrimidine
CID 55230236
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine
CID 21073267

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane?
The IUPAC name of 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane (CID 156651172) is 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane.
What is the SMILES notation for 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane?
The canonical SMILES for 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane is CC.Cc1ccc2c(Cl)nnc(OCc3ccccc3)c2c1.
What is the InChIKey of 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane?
The InChIKey is SMZBWPCKUDRGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C2H6/c1-11-7-8-13-14(9-11)16(19-18-15(13)17)20-10-12-5-3-2-4-6-12;1-2/h2-9H,10H2,1H3;1-2H3.
What are the key properties of 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane?
1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane has a molecular weight of 314.82 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane is sourced from PubChem (CID 156651172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).