1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol

C14H14ClNO — CID 60797375

IUPAC1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)Cc1ccccn1
InChIInChI=1S/C14H14ClNO/c15-12-6-4-11(5-7-12)9-14(17)10-13-3-1-2-8-16-13/h1-8,14,17H,9-10H2
InChIKeyUSTRBPQDPKMKSB-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol

1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol (PubChem CID 60797375) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
PubChem CID60797375
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)Cc1ccccn1
InChIInChI=1S/C14H14ClNO/c15-12-6-4-11(5-7-12)9-14(17)10-13-3-1-2-8-16-13/h1-8,14,17H,9-10H2
InChIKeyUSTRBPQDPKMKSB-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one
CID 25140866
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
4-(2-hydroxy-3-pyridin-2-ylpropyl)-2-methylbenzoic acid
CID 171792148
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296675
1,2-dipyridin-2-ylethanol
CID 11458306
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol (CID 60797375) is 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol is OC(Cc1ccc(Cl)cc1)Cc1ccccn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol?
The InChIKey is USTRBPQDPKMKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-12-6-4-11(5-7-12)9-14(17)10-13-3-1-2-8-16-13/h1-8,14,17H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol?
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol has a molecular weight of 247.73 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 60797375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).