[3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol

C23H21N5O — CID 164624358

IUPAC[3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol
SMILESCc1cc(-c2cccc(CO)c2)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C23H21N5O/c1-15-8-20(19-5-3-4-18(11-19)14-29)9-16(2)22(15)7-6-17-10-21(13-24-12-17)23-25-27-28-26-23/h3-13,29H,14H2,1-2H3,(H,25,26,27,28)/b7-6+
InChIKeyBYHNGYMBFCTLLQ-VOTSOKGWSA-N
MW383.46 g/mol
LogP4.21
Rot. Bonds5

About [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol

[3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol (PubChem CID 164624358) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol
PubChem CID164624358
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name[3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol
SMILESCc1cc(-c2cccc(CO)c2)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C23H21N5O/c1-15-8-20(19-5-3-4-18(11-19)14-29)9-16(2)22(15)7-6-17-10-21(13-24-12-17)23-25-27-28-26-23/h3-13,29H,14H2,1-2H3,(H,25,26,27,28)/b7-6+
InChIKeyBYHNGYMBFCTLLQ-VOTSOKGWSA-N
XLogP4.21
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]methanol
CID 15657987
1-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]ethanol
CID 15657989
3,5-dimethyl-4-{(E)-2-[5-(1H-tetrazol-5-yl)-3-pyridinyl]ethenyl}phenol
CID 16049771
3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
CID 53239970
3-[(E)-2-[4-(4-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164608725
3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]benzoic acid
CID 164609189
3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164611886
3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164612317
methyl 3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]benzoate
CID 164627846
3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride
CID 57400542
1-(4-Fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
CID 111629979
3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride
CID 56603968

Frequently Asked Questions

What is the IUPAC name of [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol?
The IUPAC name of [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol (CID 164624358) is [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol.
What is the SMILES notation for [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol?
The canonical SMILES for [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol is Cc1cc(-c2cccc(CO)c2)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1.
What is the InChIKey of [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol?
The InChIKey is BYHNGYMBFCTLLQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-8-20(19-5-3-4-18(11-19)14-29)9-16(2)22(15)7-6-17-10-21(13-24-12-17)23-25-27-28-26-23/h3-13,29H,14H2,1-2H3,(H,25,26,27,28)/b7-6+.
What are the key properties of [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol?
[3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol has a molecular weight of 383.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]phenyl]methanol is sourced from PubChem (CID 164624358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).