(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol

C17H21NO — CID 116543803

IUPAC(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ncc(C)cc2C)c1
InChIInChI=1S/C17H21NO/c1-4-6-14-7-5-8-15(10-14)17(19)16-13(3)9-12(2)11-18-16/h5,7-11,17,19H,4,6H2,1-3H3
InChIKeyIDQCPBRVLFFIIR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.73
Rot. Bonds4

About (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol

(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol (PubChem CID 116543803) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
PubChem CID116543803
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ncc(C)cc2C)c1
InChIInChI=1S/C17H21NO/c1-4-6-14-7-5-8-15(10-14)17(19)16-13(3)9-12(2)11-18-16/h5,7-11,17,19H,4,6H2,1-3H3
InChIKeyIDQCPBRVLFFIIR-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(2-methyl-1,3-oxazol-4-yl)-(3-propylphenyl)methanol
CID 114282576
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(3-propylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116543622
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365542
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol?
The IUPAC name of (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol (CID 116543803) is (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol.
What is the SMILES notation for (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol?
The canonical SMILES for (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2ncc(C)cc2C)c1.
What is the InChIKey of (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol?
The InChIKey is IDQCPBRVLFFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-6-14-7-5-8-15(10-14)17(19)16-13(3)9-12(2)11-18-16/h5,7-11,17,19H,4,6H2,1-3H3.
What are the key properties of (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol?
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol has a molecular weight of 255.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116543803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).