[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol

C16H22N2O3 — CID 64785920

IUPAC[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol
SMILESCCC(C)n1ccc(COc2ccc(CO)cc2OC)n1
InChIInChI=1S/C16H22N2O3/c1-4-12(2)18-8-7-14(17-18)11-21-15-6-5-13(10-19)9-16(15)20-3/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyXHVKCZDYDTUZPR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.93
Rot. Bonds7

About [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol

[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol (PubChem CID 64785920) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol
PubChem CID64785920
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol
SMILESCCC(C)n1ccc(COc2ccc(CO)cc2OC)n1
InChIInChI=1S/C16H22N2O3/c1-4-12(2)18-8-7-14(17-18)11-21-15-6-5-13(10-19)9-16(15)20-3/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyXHVKCZDYDTUZPR-UHFFFAOYSA-N
XLogP2.93
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 64801160
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018
5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
CID 106956243
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[5-bromo-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methylphenyl]methanol
CID 115962229
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
[3,5-dibromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 107741450
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782963
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967

Frequently Asked Questions

What is the IUPAC name of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol (CID 64785920) is [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol is CCC(C)n1ccc(COc2ccc(CO)cc2OC)n1.
What is the InChIKey of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol?
The InChIKey is XHVKCZDYDTUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-12(2)18-8-7-14(17-18)11-21-15-6-5-13(10-19)9-16(15)20-3/h5-9,12,19H,4,10-11H2,1-3H3.
What are the key properties of [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol?
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol has a molecular weight of 290.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 64785920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).