(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol

C17H21NO — CID 115817782

IUPAC(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H21NO/c1-12-9-10-18-11-14(12)16(19)13-7-5-6-8-15(13)17(2,3)4/h5-11,16,19H,1-4H3
InChIKeyQBDSQUBXDLPXEK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds2

About (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol

(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol (PubChem CID 115817782) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
PubChem CID115817782
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H21NO/c1-12-9-10-18-11-14(12)16(19)13-7-5-6-8-15(13)17(2,3)4/h5-11,16,19H,1-4H3
InChIKeyQBDSQUBXDLPXEK-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
(2-tert-butylphenyl)-(2-chlorophenyl)methanol
CID 114980515
(4-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 66271587
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-bromofuran-3-yl)-(4-methyl-3-pyridinyl)methanol
CID 106859365
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
CID 170551631
3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103457204
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 103129010
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol (CID 115817782) is (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol is Cc1ccncc1C(O)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol?
The InChIKey is QBDSQUBXDLPXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-10-18-11-14(12)16(19)13-7-5-6-8-15(13)17(2,3)4/h5-11,16,19H,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol?
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol has a molecular weight of 255.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115817782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).