2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone

C20H20N4O3 — CID 22365802

IUPAC2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone
SMILESC=CCc1cc(C(=O)CO)ccc1OCc1cccc(-c2nnn(C)n2)c1
InChIInChI=1S/C20H20N4O3/c1-3-5-16-11-15(18(26)12-25)8-9-19(16)27-13-14-6-4-7-17(10-14)20-21-23-24(2)22-20/h3-4,6-11,25H,1,5,12-13H2,2H3
InChIKeyTWKUVZBCNLSLQC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.36
Rot. Bonds8

About 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone

2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone (PubChem CID 22365802) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone
PubChem CID22365802
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone
SMILESC=CCc1cc(C(=O)CO)ccc1OCc1cccc(-c2nnn(C)n2)c1
InChIInChI=1S/C20H20N4O3/c1-3-5-16-11-15(18(26)12-25)8-9-19(16)27-13-14-6-4-7-17(10-14)20-21-23-24(2)22-20/h3-4,6-11,25H,1,5,12-13H2,2H3
InChIKeyTWKUVZBCNLSLQC-UHFFFAOYSA-N
XLogP2.36
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[4-[4-(1-methyltetrazol-5-yl)butoxy]-3-prop-2-enylphenyl]ethanone
CID 19093542
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
CID 19910752
3,4-dimethoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-prop-2-enylbenzohydrazide
CID 24541970
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
1-[4-(3-bromopropoxy)-3-prop-2-enylphenyl]butan-1-one
CID 10734825
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
1-[4-(2-phenoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849540
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone (CID 22365802) is 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone is C=CCc1cc(C(=O)CO)ccc1OCc1cccc(-c2nnn(C)n2)c1.
What is the InChIKey of 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone?
The InChIKey is TWKUVZBCNLSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-5-16-11-15(18(26)12-25)8-9-19(16)27-13-14-6-4-7-17(10-14)20-21-23-24(2)22-20/h3-4,6-11,25H,1,5,12-13H2,2H3.
What are the key properties of 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone?
2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone has a molecular weight of 364.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[3-(2-methyltetrazol-5-yl)phenyl]methoxy]-3-prop-2-enylphenyl]ethanone is sourced from PubChem (CID 22365802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).