tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate

C19H20O3 — CID 151965214

IUPACtert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)C=Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20O3/c1-19(2,3)22-18(21)13-6-14-4-7-15(8-5-14)16-9-11-17(20)12-10-16/h4-13,20H,1-3H3
InChIKeyTZMYTOUHWXKMPP-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate

tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate (PubChem CID 151965214) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate
PubChem CID151965214
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nametert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)C=Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H20O3/c1-19(2,3)22-18(21)13-6-14-4-7-15(8-5-14)16-9-11-17(20)12-10-16/h4-13,20H,1-3H3
InChIKeyTZMYTOUHWXKMPP-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639
tert-butyl 3-(4-formylphenyl)prop-2-enoate
CID 54147604
tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549
tert-butyl (E)-3-[4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate
CID 68977222
tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
tert-butyl (E)-3-[4-(4-pentoxyphenyl)phenyl]prop-2-enoate
CID 22925871
tert-butyl 3-(4-cyanophenyl)prop-2-enoate
CID 66690910
tert-butyl (E)-3-[4-(4-methylphenyl)sulfinylphenyl]prop-2-enoate
CID 102146153
2-hydroxypropan-2-yl (E)-3-(4-methylphenyl)prop-2-enoate
CID 141366675
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
tert-butyl (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 130331817

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate?
The IUPAC name of tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate (CID 151965214) is tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate?
The canonical SMILES for tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate is CC(C)(C)OC(=O)C=Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate?
The InChIKey is TZMYTOUHWXKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-19(2,3)22-18(21)13-6-14-4-7-15(8-5-14)16-9-11-17(20)12-10-16/h4-13,20H,1-3H3.
What are the key properties of tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate?
tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoate is sourced from PubChem (CID 151965214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).