(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol

C18H19N3O2 — CID 97157400

IUPAC(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCc2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-17(22)14-8-10-16(11-9-14)23-12-18-19-13-21(20-18)15-6-4-3-5-7-15/h3-11,13,17,22H,2,12H2,1H3/t17-/m1/s1
InChIKeyRPFRHCDVZJBBBT-QGZVFWFLSA-N
MW309.37 g/mol
LogP3.29
Rot. Bonds6

About (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol

(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol (PubChem CID 97157400) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
PubChem CID97157400
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCc2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-17(22)14-8-10-16(11-9-14)23-12-18-19-13-21(20-18)15-6-4-3-5-7-15/h3-11,13,17,22H,2,12H2,1H3/t17-/m1/s1
InChIKeyRPFRHCDVZJBBBT-QGZVFWFLSA-N
XLogP3.29
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 64773103
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 90935639

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol (CID 97157400) is (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCc2ncn(-c3ccccc3)n2)cc1.
What is the InChIKey of (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
The InChIKey is RPFRHCDVZJBBBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-17(22)14-8-10-16(11-9-14)23-12-18-19-13-21(20-18)15-6-4-3-5-7-15/h3-11,13,17,22H,2,12H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol?
(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 97157400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).