4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol

C24H26N2O3 — CID 167437122

IUPAC4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol
SMILESC=C(OCC)c1nccc(COc2ccc(C(C)(C)c3ccc(O)cc3)cc2)n1
InChIInChI=1S/C24H26N2O3/c1-5-28-17(2)23-25-15-14-20(26-23)16-29-22-12-8-19(9-13-22)24(3,4)18-6-10-21(27)11-7-18/h6-15,27H,2,5,16H2,1,3-4H3
InChIKeyMTWCEKQPPATBFN-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.09
Rot. Bonds8

About 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol

4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol (PubChem CID 167437122) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol
PubChem CID167437122
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol
SMILESC=C(OCC)c1nccc(COc2ccc(C(C)(C)c3ccc(O)cc3)cc2)n1
InChIInChI=1S/C24H26N2O3/c1-5-28-17(2)23-25-15-14-20(26-23)16-29-22-12-8-19(9-13-22)24(3,4)18-6-10-21(27)11-7-18/h6-15,27H,2,5,16H2,1,3-4H3
InChIKeyMTWCEKQPPATBFN-UHFFFAOYSA-N
XLogP5.09
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[8-[4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-5-yl]methoxy]phenyl]propan-2-yl]phenoxy]octoxy]butan-1-amine
CID 167437359
ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
CID 86038981
4-[2-[4-(trimethylsilylmethoxy)phenyl]propan-2-yl]phenol
CID 59326359
4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine
CID 167437187
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 176626342
N-[(2,4-dimethoxyphenyl)methyl]-N-[4-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
CID 166044550
2-(3-isocyanoazetidin-1-yl)-4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]pyrimidine
CID 176626237
4-[2-[4-[[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-dimethylsilyl]oxyphenyl]propan-2-yl]phenol
CID 140743150
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(1-methylpiperidin-4-yl)oxypyrimidine
CID 176625650
4-[2-[4-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]benzamide
CID 171612537
[3-[4-[2-[4-[(2-cyanopyrimidin-4-yl)methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamic acid
CID 174239020

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol (CID 167437122) is 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol is C=C(OCC)c1nccc(COc2ccc(C(C)(C)c3ccc(O)cc3)cc2)n1.
What is the InChIKey of 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol?
The InChIKey is MTWCEKQPPATBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-5-28-17(2)23-25-15-14-20(26-23)16-29-22-12-8-19(9-13-22)24(3,4)18-6-10-21(27)11-7-18/h6-15,27H,2,5,16H2,1,3-4H3.
What are the key properties of 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol?
4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol has a molecular weight of 390.48 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 167437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).