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

C18H21NO — CID 114602448

IUPAC(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCc1cnc(C(O)c2cccc(C3CCC3)c2)c(C)c1
InChIInChI=1S/C18H21NO/c1-12-9-13(2)17(19-11-12)18(20)16-8-4-7-15(10-16)14-5-3-6-14/h4,7-11,14,18,20H,3,5-6H2,1-2H3
InChIKeyWOXNUCSVLXVBHM-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.05
Rot. Bonds3

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

(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol (PubChem CID 114602448) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
PubChem CID114602448
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCc1cnc(C(O)c2cccc(C3CCC3)c2)c(C)c1
InChIInChI=1S/C18H21NO/c1-12-9-13(2)17(19-11-12)18(20)16-8-4-7-15(10-16)14-5-3-6-14/h4,7-11,14,18,20H,3,5-6H2,1-2H3
InChIKeyWOXNUCSVLXVBHM-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3-cyclobutylphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 114601558
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 103408312

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol (CID 114602448) is (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol is Cc1cnc(C(O)c2cccc(C3CCC3)c2)c(C)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The InChIKey is WOXNUCSVLXVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-9-13(2)17(19-11-12)18(20)16-8-4-7-15(10-16)14-5-3-6-14/h4,7-11,14,18,20H,3,5-6H2,1-2H3.
What are the key properties of (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol has a molecular weight of 267.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol is sourced from PubChem (CID 114602448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).