4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol

C19H22N4O3 — CID 135869484

IUPAC4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol
SMILESCCn1nnnc1-c1cc(-c2cc(C(C)C)ccc2OC)c(O)cc1O
InChIInChI=1S/C19H22N4O3/c1-5-23-19(20-21-22-23)15-9-13(16(24)10-17(15)25)14-8-12(11(2)3)6-7-18(14)26-4/h6-11,24-25H,5H2,1-4H3
InChIKeyGQWSQQNQNYJJFX-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.57
Rot. Bonds5

About 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol

4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol (PubChem CID 135869484) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol
PubChem CID135869484
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol
SMILESCCn1nnnc1-c1cc(-c2cc(C(C)C)ccc2OC)c(O)cc1O
InChIInChI=1S/C19H22N4O3/c1-5-23-19(20-21-22-23)15-9-13(16(24)10-17(15)25)14-8-12(11(2)3)6-7-18(14)26-4/h6-11,24-25H,5H2,1-4H3
InChIKeyGQWSQQNQNYJJFX-UHFFFAOYSA-N
XLogP3.57
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-ethyl-2H-tetrazol-1-ium-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol
CID 137157076
4-[1-(3-methoxypropyl)tetrazol-5-yl]-6-(3-propan-2-ylphenyl)benzene-1,3-diol
CID 135987553
4-(1-ethyltetrazol-5-yl)-2-methoxyaniline
CID 104784473
5-(1-ethyltetrazol-5-yl)-2-methoxybenzaldehyde
CID 22106604
1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole
CID 55390454
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
2-ethyl-4-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)benzene
CID 123847181
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-[[5-(2-methoxy-5-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452033
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol?
The IUPAC name of 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol (CID 135869484) is 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol?
The canonical SMILES for 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol is CCn1nnnc1-c1cc(-c2cc(C(C)C)ccc2OC)c(O)cc1O.
What is the InChIKey of 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol?
The InChIKey is GQWSQQNQNYJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-5-23-19(20-21-22-23)15-9-13(16(24)10-17(15)25)14-8-12(11(2)3)6-7-18(14)26-4/h6-11,24-25H,5H2,1-4H3.
What are the key properties of 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol?
4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol has a molecular weight of 354.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyltetrazol-5-yl)-6-(2-methoxy-5-propan-2-ylphenyl)benzene-1,3-diol is sourced from PubChem (CID 135869484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).