phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol

C11H7Cl3N2O — CID 15053974

IUPACphenyl-(2,4,6-trichloropyrimidin-5-yl)methanol
SMILESOC(c1ccccc1)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C11H7Cl3N2O/c12-9-7(10(13)16-11(14)15-9)8(17)6-4-2-1-3-5-6/h1-5,8,17H
InChIKeyKLCHWNYDISEVLG-UHFFFAOYSA-N
MW289.55 g/mol
LogP3.52
Rot. Bonds2

About phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol

phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol (PubChem CID 15053974) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol.

Molecular Properties

Compound Namephenyl-(2,4,6-trichloropyrimidin-5-yl)methanol
PubChem CID15053974
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Namephenyl-(2,4,6-trichloropyrimidin-5-yl)methanol
SMILESOC(c1ccccc1)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C11H7Cl3N2O/c12-9-7(10(13)16-11(14)15-9)8(17)6-4-2-1-3-5-6/h1-5,8,17H
InChIKeyKLCHWNYDISEVLG-UHFFFAOYSA-N
XLogP3.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
(2,4-dichloropyrimidin-5-yl)-phenylmethanol
CID 15053973
(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
CID 2803280
(2-amino-6-chlorophenyl)-phenylmethanol
CID 13329179
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol
CID 102546990
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol
CID 102368273
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
2-[hydroxy(phenyl)methyl]-3-methylphenol
CID 54494463
anthracen-2-yl(phenyl)methanol
CID 15685338
(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol
CID 90791688

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol?
The IUPAC name of phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol (CID 15053974) is phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol.
What is the SMILES notation for phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol?
The canonical SMILES for phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol is OC(c1ccccc1)c1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol?
The InChIKey is KLCHWNYDISEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-9-7(10(13)16-11(14)15-9)8(17)6-4-2-1-3-5-6/h1-5,8,17H.
What are the key properties of phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol?
phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol has a molecular weight of 289.55 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol is sourced from PubChem (CID 15053974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).