1-chloro-4-(thiophen-2-ylmethoxy)phthalazine

C13H9ClN2OS — CID 55041274

IUPAC1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
SMILESClc1nnc(OCc2cccs2)c2ccccc12
InChIInChI=1S/C13H9ClN2OS/c14-12-10-5-1-2-6-11(10)13(16-15-12)17-8-9-4-3-7-18-9/h1-7H,8H2
InChIKeyZKMNBSDFZNFVJZ-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.92
Rot. Bonds3

About 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine

1-chloro-4-(thiophen-2-ylmethoxy)phthalazine (PubChem CID 55041274) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
PubChem CID55041274
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
SMILESClc1nnc(OCc2cccs2)c2ccccc12
InChIInChI=1S/C13H9ClN2OS/c14-12-10-5-1-2-6-11(10)13(16-15-12)17-8-9-4-3-7-18-9/h1-7H,8H2
InChIKeyZKMNBSDFZNFVJZ-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine
CID 81036270
5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80872356
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
[3,5-dichloro-6-(thiophen-2-ylmethoxy)-2-pyridinyl]hydrazine
CID 102762979
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
CID 79487719
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methanol
CID 105383359
5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbothioamide
CID 54966765
1-chloro-4-thiophen-2-ylsulfanylphthalazine
CID 62140617
2-thiophen-2-ylethyl 1-chloroisoquinoline-4-carboxylate
CID 106777636
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54930333

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine?
The IUPAC name of 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine (CID 55041274) is 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine.
What is the SMILES notation for 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine?
The canonical SMILES for 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine is Clc1nnc(OCc2cccs2)c2ccccc12.
What is the InChIKey of 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine?
The InChIKey is ZKMNBSDFZNFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-12-10-5-1-2-6-11(10)13(16-15-12)17-8-9-4-3-7-18-9/h1-7H,8H2.
What are the key properties of 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine?
1-chloro-4-(thiophen-2-ylmethoxy)phthalazine has a molecular weight of 276.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(thiophen-2-ylmethoxy)phthalazine is sourced from PubChem (CID 55041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).