bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

C24H27NO3 — CID 56672373

IUPACbis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2ccc(OC(C)C)cc2)c2cccnc2)cc1
InChIInChI=1S/C24H27NO3/c1-17(2)27-22-11-7-19(8-12-22)24(26,21-6-5-15-25-16-21)20-9-13-23(14-10-20)28-18(3)4/h5-18,26H,1-4H3
InChIKeyKSVABHPQWWGZTO-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.94
Rot. Bonds7

About bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (PubChem CID 56672373) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Namebis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
PubChem CID56672373
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Namebis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2ccc(OC(C)C)cc2)c2cccnc2)cc1
InChIInChI=1S/C24H27NO3/c1-17(2)27-22-11-7-19(8-12-22)24(26,21-6-5-15-25-16-21)20-9-13-23(14-10-20)28-18(3)4/h5-18,26H,1-4H3
InChIKeyKSVABHPQWWGZTO-UHFFFAOYSA-N
XLogP4.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (CID 56672373) is bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is CC(C)Oc1ccc(C(O)(c2ccc(OC(C)C)cc2)c2cccnc2)cc1.
What is the InChIKey of bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is KSVABHPQWWGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-17(2)27-22-11-7-19(8-12-22)24(26,21-6-5-15-25-16-21)20-9-13-23(14-10-20)28-18(3)4/h5-18,26H,1-4H3.
What are the key properties of bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 377.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56672373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).