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

C16H15ClN4O2 — CID 10711535

IUPAC2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H15ClN4O2/c17-14-5-1-12(2-6-14)11-23-15-7-3-13(4-8-15)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2
InChIKeyILWGNSNUPJVBTO-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.56
Rot. Bonds6

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

2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (PubChem CID 10711535) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
PubChem CID10711535
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H15ClN4O2/c17-14-5-1-12(2-6-14)11-23-15-7-3-13(4-8-15)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2
InChIKeyILWGNSNUPJVBTO-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.56
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
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10569117
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
(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
2-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-ethanol
CID 10518033

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (CID 10711535) is 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is ILWGNSNUPJVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-14-5-1-12(2-6-14)11-23-15-7-3-13(4-8-15)16-18-20-21(19-16)9-10-22/h1-8,22H,9-11H2.
What are the key properties of 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 330.78 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(4-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 10711535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).