2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid

C17H16N4O3 — CID 2225035

IUPAC2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid
SMILESCc1ccccc1COc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C17H16N4O3/c1-12-4-2-3-5-14(12)11-24-15-8-6-13(7-9-15)17-18-20-21(19-17)10-16(22)23/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyBVRAOWVICBUSTL-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.31
Rot. Bonds6

About 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid

2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid (PubChem CID 2225035) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid
PubChem CID2225035
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid
SMILESCc1ccccc1COc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C17H16N4O3/c1-12-4-2-3-5-14(12)11-24-15-8-6-13(7-9-15)17-18-20-21(19-17)10-16(22)23/h2-9H,10-11H2,1H3,(H,22,23)
InChIKeyBVRAOWVICBUSTL-UHFFFAOYSA-N
XLogP2.31
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic Acid
CID 7357333
2-(5-{4-[(2-methylbenzyl)oxy]phenyl}-2H-tetrazol-2-yl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 5295727
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
2-(5-(4-((Phenethyl(4-(4-(pyrrolidin-1-ylmethyl)phenoxy)butyl)amino)methyl)phenyl)-2H-tetrazol-2-yl)acetic acid
CID 91826512
(3R)-3-amino-4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 118191834
(3R)-3-amino-4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 124193687
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 153933308
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
2-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-propionic acid ethyl ester
CID 652147
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid (CID 2225035) is 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid is Cc1ccccc1COc1ccc(-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is BVRAOWVICBUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12-4-2-3-5-14(12)11-24-15-8-6-13(7-9-15)17-18-20-21(19-17)10-16(22)23/h2-9H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 2225035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).