(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

C17H20N2O2 — CID 105131524

IUPAC(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H20N2O2/c1-3-16-15(9-11(2)18-19-16)17(20)12-5-4-6-14(10-12)21-13-7-8-13/h4-6,9-10,13,17,20H,3,7-8H2,1-2H3
InChIKeyVKVYUHIHFKFNOO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.97
Rot. Bonds5

About (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 105131524) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID105131524
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H20N2O2/c1-3-16-15(9-11(2)18-19-16)17(20)12-5-4-6-14(10-12)21-13-7-8-13/h4-6,9-10,13,17,20H,3,7-8H2,1-2H3
InChIKeyVKVYUHIHFKFNOO-UHFFFAOYSA-N
XLogP2.97
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
(2-bromo-5-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 105131480
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 114520938
(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol
CID 103572651
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 105131524) is (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is VKVYUHIHFKFNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-16-15(9-11(2)18-19-16)17(20)12-5-4-6-14(10-12)21-13-7-8-13/h4-6,9-10,13,17,20H,3,7-8H2,1-2H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 284.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 105131524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).