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

C16H15FN4O2 — CID 10495446

IUPAC2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(OCc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H15FN4O2/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
InChIKeyWOORMFWKCCXKQW-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.05
Rot. Bonds6

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

2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (PubChem CID 10495446) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
PubChem CID10495446
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(OCc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H15FN4O2/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
InChIKeyWOORMFWKCCXKQW-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.05
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-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
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
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 153933308
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
(E)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 137473315
(Z)-2-[[4-(2-cyclopropyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 137473330
(E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512226

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (CID 10495446) is 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccc(OCc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is WOORMFWKCCXKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/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-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 314.32 g/mol, XLogP of 2.05, 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-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 10495446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).