(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol

C15H17NO2 — CID 61255489

IUPAC(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol
SMILESCc1cc(C)c(CO)c(OCc2ccccc2)n1
InChIInChI=1S/C15H17NO2/c1-11-8-12(2)16-15(14(11)9-17)18-10-13-6-4-3-5-7-13/h3-8,17H,9-10H2,1-2H3
InChIKeyWOMRXVMNTPLEGH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds4

About (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol

(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol (PubChem CID 61255489) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol
PubChem CID61255489
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol
SMILESCc1cc(C)c(CO)c(OCc2ccccc2)n1
InChIInChI=1S/C15H17NO2/c1-11-8-12(2)16-15(14(11)9-17)18-10-13-6-4-3-5-7-13/h3-8,17H,9-10H2,1-2H3
InChIKeyWOMRXVMNTPLEGH-UHFFFAOYSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol?
The IUPAC name of (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol (CID 61255489) is (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol.
What is the SMILES notation for (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol?
The canonical SMILES for (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol is Cc1cc(C)c(CO)c(OCc2ccccc2)n1.
What is the InChIKey of (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol?
The InChIKey is WOMRXVMNTPLEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-8-12(2)16-15(14(11)9-17)18-10-13-6-4-3-5-7-13/h3-8,17H,9-10H2,1-2H3.
What are the key properties of (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol?
(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol has a molecular weight of 243.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methanol is sourced from PubChem (CID 61255489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).