2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol

C14H16ClN3O3 — CID 107712359

IUPAC2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccccc2CCO)n1
InChIInChI=1S/C14H16ClN3O3/c1-9(2)20-13-16-12(15)17-14(18-13)21-11-6-4-3-5-10(11)7-8-19/h3-6,9,19H,7-8H2,1-2H3
InChIKeyQDNVYLYNLXTTTB-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol

2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol (PubChem CID 107712359) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol
PubChem CID107712359
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccccc2CCO)n1
InChIInChI=1S/C14H16ClN3O3/c1-9(2)20-13-16-12(15)17-14(18-13)21-11-6-4-3-5-10(11)7-8-19/h3-6,9,19H,7-8H2,1-2H3
InChIKeyQDNVYLYNLXTTTB-UHFFFAOYSA-N
XLogP2.64
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol with MolForge

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Related Compounds

2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 107713663
2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
2-chloro-4-(3-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868287
2-[2-[(3-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107713784
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107712360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol (CID 107712359) is 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol is CC(C)Oc1nc(Cl)nc(Oc2ccccc2CCO)n1.
What is the InChIKey of 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol?
The InChIKey is QDNVYLYNLXTTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-9(2)20-13-16-12(15)17-14(18-13)21-11-6-4-3-5-10(11)7-8-19/h3-6,9,19H,7-8H2,1-2H3.
What are the key properties of 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol?
2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol has a molecular weight of 309.75 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanol is sourced from PubChem (CID 107712359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).