4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid

C17H15ClN4O3 — CID 135209030

IUPAC4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESO=C(O)CCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H15ClN4O3/c18-13-5-9-15(10-6-13)25-14-7-3-12(4-8-14)17-19-21-22(20-17)11-1-2-16(23)24/h3-10H,1-2,11H2,(H,23,24)
InChIKeyAQANURZKWAQXDO-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.65
Rot. Bonds7

About 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid

4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid (PubChem CID 135209030) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
PubChem CID135209030
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
SMILESO=C(O)CCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C17H15ClN4O3/c18-13-5-9-15(10-6-13)25-14-7-3-12(4-8-14)17-19-21-22(20-17)11-1-2-16(23)24/h3-10H,1-2,11H2,(H,23,24)
InChIKeyAQANURZKWAQXDO-UHFFFAOYSA-N
XLogP3.65
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.65
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
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic Acid
CID 7357333
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
(3R)-3-amino-4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 118191834
(3R)-3-amino-4-[5-[4-(4-fluorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 124193679
3-{5-[4-(2-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10521072
3-{5-[4-(4-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10617083
2-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10640204
2-{5-[4-(4-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10711535
5-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyltetrazole-2-carboxamide
CID 72197800
(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine
CID 164612985

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid (CID 135209030) is 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid is O=C(O)CCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid?
The InChIKey is AQANURZKWAQXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-13-5-9-15(10-6-13)25-14-7-3-12(4-8-14)17-19-21-22(20-17)11-1-2-16(23)24/h3-10H,1-2,11H2,(H,23,24).
What are the key properties of 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid?
4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid has a molecular weight of 358.79 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 135209030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).