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

C17H18N4O2 — CID 10804889

IUPAC2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESCc1ccccc1COc1ccc(-c2nnn(CCO)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-13-4-2-3-5-15(13)12-23-16-8-6-14(7-9-16)17-18-20-21(19-17)10-11-22/h2-9,22H,10-12H2,1H3
InChIKeyDIFVEQDATPABRV-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.22
Rot. Bonds6

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

2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (PubChem CID 10804889) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
PubChem CID10804889
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol
SMILESCc1ccccc1COc1ccc(-c2nnn(CCO)n2)cc1
InChIInChI=1S/C17H18N4O2/c1-13-4-2-3-5-15(13)12-23-16-8-6-14(7-9-16)17-18-20-21(19-17)10-11-22/h2-9,22H,10-12H2,1H3
InChIKeyDIFVEQDATPABRV-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.22
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
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-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512243
(Z)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369018
[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-acetonitrile
CID 650154
2-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-propionic acid ethyl ester
CID 652147

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol (CID 10804889) is 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is Cc1ccccc1COc1ccc(-c2nnn(CCO)n2)cc1.
What is the InChIKey of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is DIFVEQDATPABRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-4-2-3-5-15(13)12-23-16-8-6-14(7-9-16)17-18-20-21(19-17)10-11-22/h2-9,22H,10-12H2,1H3.
What are the key properties of 2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol?
2-[5-[4-[(2-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 310.36 g/mol, XLogP of 2.22, 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-methylphenyl)methoxy]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 10804889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).