(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol

C16H19NO — CID 113365534

IUPAC(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCc1cnc(C(O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C16H19NO/c1-10-7-13(4)15(17-9-10)16(18)14-6-5-11(2)12(3)8-14/h5-9,16,18H,1-4H3
InChIKeyWXCYGMQUBHTOIP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.40
Rot. Bonds2

About (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol

(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol (PubChem CID 113365534) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
PubChem CID113365534
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
SMILESCc1cnc(C(O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C16H19NO/c1-10-7-13(4)15(17-9-10)16(18)14-6-5-11(2)12(3)8-14/h5-9,16,18H,1-4H3
InChIKeyWXCYGMQUBHTOIP-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365542
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448
(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
CID 105091691
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
(R)-(3,4-dimethylphenyl)-(4-phenylphenyl)methanol
CID 100803935
(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 129323058
(R)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481789
(S)-(3,4-dimethylphenyl)-pyridin-2-ylmethanol
CID 94481788
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol (CID 113365534) is (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol is Cc1cnc(C(O)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
The InChIKey is WXCYGMQUBHTOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-7-13(4)15(17-9-10)16(18)14-6-5-11(2)12(3)8-14/h5-9,16,18H,1-4H3.
What are the key properties of (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol?
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol has a molecular weight of 241.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol is sourced from PubChem (CID 113365534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).