1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol

C17H21NO — CID 104735785

IUPAC1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
SMILESCC(C)Cc1ccc(C(O)Cc2cccnc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)10-14-5-7-16(8-6-14)17(19)11-15-4-3-9-18-12-15/h3-9,12-13,17,19H,10-11H2,1-2H3
InChIKeyIXGXCBZFTHPSIY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.56
Rot. Bonds5

About 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol

1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol (PubChem CID 104735785) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
PubChem CID104735785
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
SMILESCC(C)Cc1ccc(C(O)Cc2cccnc2)cc1
InChIInChI=1S/C17H21NO/c1-13(2)10-14-5-7-16(8-6-14)17(19)11-15-4-3-9-18-12-15/h3-9,12-13,17,19H,10-11H2,1-2H3
InChIKeyIXGXCBZFTHPSIY-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
3-pyridin-3-ylpropyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 124528117

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol (CID 104735785) is 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol is CC(C)Cc1ccc(C(O)Cc2cccnc2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol?
The InChIKey is IXGXCBZFTHPSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)10-14-5-7-16(8-6-14)17(19)11-15-4-3-9-18-12-15/h3-9,12-13,17,19H,10-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol?
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol has a molecular weight of 255.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol is sourced from PubChem (CID 104735785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).