4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol

C14H14ClNO2 — CID 83075337

IUPAC4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1ccncc1Cl)c1ccc(O)cc1
InChIInChI=1S/C14H14ClNO2/c1-14(18,11-2-4-12(17)5-3-11)8-10-6-7-16-9-13(10)15/h2-7,9,17-18H,8H2,1H3
InChIKeyGCRVYEPHNYABHW-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.89
Rot. Bonds3

About 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol

4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol (PubChem CID 83075337) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
PubChem CID83075337
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
SMILESCC(O)(Cc1ccncc1Cl)c1ccc(O)cc1
InChIInChI=1S/C14H14ClNO2/c1-14(18,11-2-4-12(17)5-3-11)8-10-6-7-16-9-13(10)15/h2-7,9,17-18H,8H2,1H3
InChIKeyGCRVYEPHNYABHW-UHFFFAOYSA-N
XLogP2.89
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125074
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794962
4-(tert-butylamino)-1-(3-chloro-4-pyridinyl)-2-methylbutan-2-ol
CID 66002261
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
CID 83151291

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol?
The IUPAC name of 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol (CID 83075337) is 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol?
The canonical SMILES for 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol is CC(O)(Cc1ccncc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol?
The InChIKey is GCRVYEPHNYABHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-14(18,11-2-4-12(17)5-3-11)8-10-6-7-16-9-13(10)15/h2-7,9,17-18H,8H2,1H3.
What are the key properties of 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol?
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol has a molecular weight of 263.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 83075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).