2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol

C27H24N8O3 — CID 135484062

IUPAC2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol
SMILESCn1nnnc1/C=C/c1ccc(O)c(C(c2ccc(O)cc2)c2cc(/C=C/c3nnnn3C)ccc2O)c1
InChIInChI=1S/C27H24N8O3/c1-34-25(28-30-32-34)13-5-17-3-11-23(37)21(15-17)27(19-7-9-20(36)10-8-19)22-16-18(4-12-24(22)38)6-14-26-29-31-33-35(26)2/h3-16,27,36-38H,1-2H3/b13-5+,14-6+
InChIKeyDGNFXRFCGMZHAW-ACFHMISVSA-N
MW508.54 g/mol
LogP3.37
Rot. Bonds7

About 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol

2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol (PubChem CID 135484062) has the molecular formula C27H24N8O3 and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol
PubChem CID135484062
Molecular FormulaC27H24N8O3
Molecular Weight508.54 g/mol
Exact Mass508.20
IUPAC Name2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol
SMILESCn1nnnc1/C=C/c1ccc(O)c(C(c2ccc(O)cc2)c2cc(/C=C/c3nnnn3C)ccc2O)c1
InChIInChI=1S/C27H24N8O3/c1-34-25(28-30-32-34)13-5-17-3-11-23(37)21(15-17)27(19-7-9-20(36)10-8-19)22-16-18(4-12-24(22)38)6-14-26-29-31-33-35(26)2/h3-16,27,36-38H,1-2H3/b13-5+,14-6+
InChIKeyDGNFXRFCGMZHAW-ACFHMISVSA-N
XLogP3.37
TPSA147.89 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol?
The IUPAC name of 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol (CID 135484062) is 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol?
The canonical SMILES for 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol is Cn1nnnc1/C=C/c1ccc(O)c(C(c2ccc(O)cc2)c2cc(/C=C/c3nnnn3C)ccc2O)c1.
What is the InChIKey of 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol?
The InChIKey is DGNFXRFCGMZHAW-ACFHMISVSA-N. The full InChI is InChI=1S/C27H24N8O3/c1-34-25(28-30-32-34)13-5-17-3-11-23(37)21(15-17)27(19-7-9-20(36)10-8-19)22-16-18(4-12-24(22)38)6-14-26-29-31-33-35(26)2/h3-16,27,36-38H,1-2H3/b13-5+,14-6+.
What are the key properties of 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol?
2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol has a molecular weight of 508.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol is sourced from PubChem (CID 135484062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).