1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol

C14H19N3O3 — CID 43524917

IUPAC1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1nnc(C)n1C
InChIInChI=1S/C14H19N3O3/c1-9(18)11-5-6-12(13(7-11)19-4)20-8-14-16-15-10(2)17(14)3/h5-7,9,18H,8H2,1-4H3
InChIKeyDLSWMOVZKOIIFI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol

1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol (PubChem CID 43524917) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol
PubChem CID43524917
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cc(C(C)O)ccc1OCc1nnc(C)n1C
InChIInChI=1S/C14H19N3O3/c1-9(18)11-5-6-12(13(7-11)19-4)20-8-14-16-15-10(2)17(14)3/h5-7,9,18H,8H2,1-4H3
InChIKeyDLSWMOVZKOIIFI-UHFFFAOYSA-N
XLogP1.76
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
CID 63650922
1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932436
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1S)-1-[3-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 78931662
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyaniline
CID 43524963
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol?
The IUPAC name of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol (CID 43524917) is 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol?
The canonical SMILES for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol is COc1cc(C(C)O)ccc1OCc1nnc(C)n1C.
What is the InChIKey of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol?
The InChIKey is DLSWMOVZKOIIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(18)11-5-6-12(13(7-11)19-4)20-8-14-16-15-10(2)17(14)3/h5-7,9,18H,8H2,1-4H3.
What are the key properties of 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol?
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol has a molecular weight of 277.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxyphenyl]ethanol is sourced from PubChem (CID 43524917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).