1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

C22H22F2N2O2 — CID 118443397

IUPAC1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(-c2ccc(OC(F)F)cc2)cc1)c1cncnc1
InChIInChI=1S/C22H22F2N2O2/c1-21(2,3)22(27,18-12-25-14-26-13-18)17-8-4-15(5-9-17)16-6-10-19(11-7-16)28-20(23)24/h4-14,20,27H,1-3H3
InChIKeyHEEZWLPZACMKAZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.03
Rot. Bonds5

About 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol

1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 118443397) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID118443397
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(-c2ccc(OC(F)F)cc2)cc1)c1cncnc1
InChIInChI=1S/C22H22F2N2O2/c1-21(2,3)22(27,18-12-25-14-26-13-18)17-8-4-15(5-9-17)16-6-10-19(11-7-16)28-20(23)24/h4-14,20,27H,1-3H3
InChIKeyHEEZWLPZACMKAZ-UHFFFAOYSA-N
XLogP5.03
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol
CID 118443740
1-[4-[4-(1,1-difluoroethoxy)phenyl]-2-(trifluoromethyl)phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 123564414
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
CID 97057512
2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
CID 118443761
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 62214131
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
1-[5-[2,4-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443772
1-[2-chloro-4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443414
2-(4-methoxyphenyl)-3,3-dimethyl-1-pyrimidin-5-ylbutan-2-ol
CID 70511217
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol (CID 118443397) is 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is CC(C)(C)C(O)(c1ccc(-c2ccc(OC(F)F)cc2)cc1)c1cncnc1.
What is the InChIKey of 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is HEEZWLPZACMKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-21(2,3)22(27,18-12-25-14-26-13-18)17-8-4-15(5-9-17)16-6-10-19(11-7-16)28-20(23)24/h4-14,20,27H,1-3H3.
What are the key properties of 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol?
1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 384.43 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 118443397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).