1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol

C29H31N3O4 — CID 19362455

IUPAC1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
SMILESCCCCC(O)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C29H31N3O4/c1-4-5-6-23(33)19-36-26-17-11-22(12-18-26)29-31-27(20-7-13-24(34-2)14-8-20)30-28(32-29)21-9-15-25(35-3)16-10-21/h7-18,23,33H,4-6,19H2,1-3H3
InChIKeyUQKBDDHTGORSED-UHFFFAOYSA-N
MW485.58 g/mol
LogP5.82
Rot. Bonds11

About 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol

1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol (PubChem CID 19362455) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol.

Molecular Properties

Compound Name1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
PubChem CID19362455
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
SMILESCCCCC(O)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C29H31N3O4/c1-4-5-6-23(33)19-36-26-17-11-22(12-18-26)29-31-27(20-7-13-24(34-2)14-8-20)30-28(32-29)21-9-15-25(35-3)16-10-21/h7-18,23,33H,4-6,19H2,1-3H3
InChIKeyUQKBDDHTGORSED-UHFFFAOYSA-N
XLogP5.82
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol with MolForge

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Related Compounds

1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-[4-(5-dodecylpyrimidin-2-yl)phenoxy]heptan-2-ol
CID 19105692
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
4-[(2R)-2-hydroxyhexoxy]benzonitrile
CID 139777729
4-(2-hydroxyhexoxy)benzaldehyde
CID 87847240
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-phenoxyheptan-2-ol
CID 12731443
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
5-[(2S)-2-ethylhexoxy]-2-[4-[3-[(2S)-2-ethylhexoxy]-5-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 137066045
1-phenoxytetradecan-2-ol
CID 11609222

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol?
The IUPAC name of 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol (CID 19362455) is 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol.
What is the SMILES notation for 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol?
The canonical SMILES for 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol is CCCCC(O)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol?
The InChIKey is UQKBDDHTGORSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-4-5-6-23(33)19-36-26-17-11-22(12-18-26)29-31-27(20-7-13-24(34-2)14-8-20)30-28(32-29)21-9-15-25(35-3)16-10-21/h7-18,23,33H,4-6,19H2,1-3H3.
What are the key properties of 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol?
1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol has a molecular weight of 485.58 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol is sourced from PubChem (CID 19362455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).