1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol

C11H13ClN4O2 — CID 107043835

IUPAC1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1nnn(C)n1
InChIInChI=1S/C11H13ClN4O2/c1-7(17)9-5-8(12)3-4-10(9)18-6-11-13-15-16(2)14-11/h3-5,7,17H,6H2,1-2H3
InChIKeyPFPSXMIUIJNMJN-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.50
Rot. Bonds4

About 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol

1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 107043835) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID107043835
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1OCc1nnn(C)n1
InChIInChI=1S/C11H13ClN4O2/c1-7(17)9-5-8(12)3-4-10(9)18-6-11-13-15-16(2)14-11/h3-5,7,17H,6H2,1-2H3
InChIKeyPFPSXMIUIJNMJN-UHFFFAOYSA-N
XLogP1.50
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
(1S)-1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 78931134
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
CID 78944255
(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 55188616
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol (CID 107043835) is 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol is CC(O)c1cc(Cl)ccc1OCc1nnn(C)n1.
What is the InChIKey of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is PFPSXMIUIJNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-7(17)9-5-8(12)3-4-10(9)18-6-11-13-15-16(2)14-11/h3-5,7,17H,6H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol?
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 268.70 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107043835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).