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

C16H13ClN4O3 — CID 7357333

IUPAC2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O3/c17-14-4-2-1-3-12(14)10-24-13-7-5-11(6-8-13)16-18-20-21(19-16)9-15(22)23/h1-8H,9-10H2,(H,22,23)
InChIKeyYUHPPLDJMSBHEV-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.66
Rot. Bonds6

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

2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid (PubChem CID 7357333) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid
PubChem CID7357333
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O3/c17-14-4-2-1-3-12(14)10-24-13-7-5-11(6-8-13)16-18-20-21(19-16)9-15(22)23/h1-8H,9-10H2,(H,22,23)
InChIKeyYUHPPLDJMSBHEV-UHFFFAOYSA-N
XLogP2.66
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
CID 118191832
3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10569117
(3S)-3-amino-4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 91810405
Lta4H-IN-3
CID 135209030
1-[5-(2-Chlorophenyl)tetrazol-2-yl]-3-(4-octylphenoxy)propan-2-one
CID 153933324
1-[5-(3-Chlorophenyl)tetrazol-2-yl]-3-(4-octylphenoxy)propan-2-one
CID 153933328
1-[5-(4-Chlorophenyl)tetrazol-2-yl]-3-(4-octylphenoxy)propan-2-one
CID 153933332
2-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-propionic acid ethyl ester
CID 652147
{4-[2-(2-fluorobenzyl)-2H-tetrazol-5-yl]phenoxy}acetic acid
CID 935255
N-(tert-butyl)-2-(5-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetamide
CID 1259827
(5-{4-[(2-methylbenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetic acid
CID 2225035
2-{5-[4-(4-Fluoro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10495446

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid (CID 7357333) is 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1.
What is the InChIKey of 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is YUHPPLDJMSBHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-14-4-2-1-3-12(14)10-24-13-7-5-11(6-8-13)16-18-20-21(19-16)9-15(22)23/h1-8H,9-10H2,(H,22,23).
What are the key properties of 2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid?
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 344.76 g/mol, XLogP of 2.66, 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-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 7357333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).