4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol

C16H15N5O2 — CID 135533459

IUPAC4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
SMILESCOc1ccc(-n2nnnc2/C=C\Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-15-8-4-13(5-9-15)21-16(18-19-20-21)10-11-17-12-2-6-14(22)7-3-12/h2-11,17,22H,1H3/b11-10-
InChIKeyZYYGTVAOBQYNJY-KHPPLWFESA-N
MW309.33 g/mol
LogP2.46
Rot. Bonds5

About 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol

4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol (PubChem CID 135533459) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol.

Molecular Properties

Compound Name4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
PubChem CID135533459
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
SMILESCOc1ccc(-n2nnnc2/C=C\Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H15N5O2/c1-23-15-8-4-13(5-9-15)21-16(18-19-20-21)10-11-17-12-2-6-14(22)7-3-12/h2-11,17,22H,1H3/b11-10-
InChIKeyZYYGTVAOBQYNJY-KHPPLWFESA-N
XLogP2.46
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5378117
1-[3-[[(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 6031982
2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 625468
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
CID 5369007
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
CID 5366938
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
CID 20786906
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4814756
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol?
The IUPAC name of 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol (CID 135533459) is 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol.
What is the SMILES notation for 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol?
The canonical SMILES for 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol is COc1ccc(-n2nnnc2/C=C\Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol?
The InChIKey is ZYYGTVAOBQYNJY-KHPPLWFESA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-15-8-4-13(5-9-15)21-16(18-19-20-21)10-11-17-12-2-6-14(22)7-3-12/h2-11,17,22H,1H3/b11-10-.
What are the key properties of 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol?
4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol has a molecular weight of 309.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol is sourced from PubChem (CID 135533459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).