(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate

C21H22O4 — CID 67428823

IUPAC(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate
SMILESC=Cc1ccc(OC(=O)OC(C)(C)Cc2ccc(C=CO)cc2)cc1
InChIInChI=1S/C21H22O4/c1-4-16-9-11-19(12-10-16)24-20(23)25-21(2,3)15-18-7-5-17(6-8-18)13-14-22/h4-14,22H,1,15H2,2-3H3
InChIKeyCQUGFGYIQKTYFI-UHFFFAOYSA-N
MW338.40 g/mol
LogP5.39
Rot. Bonds6

About (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate

(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate (PubChem CID 67428823) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate.

Molecular Properties

Compound Name(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate
PubChem CID67428823
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate
SMILESC=Cc1ccc(OC(=O)OC(C)(C)Cc2ccc(C=CO)cc2)cc1
InChIInChI=1S/C21H22O4/c1-4-16-9-11-19(12-10-16)24-20(23)25-21(2,3)15-18-7-5-17(6-8-18)13-14-22/h4-14,22H,1,15H2,2-3H3
InChIKeyCQUGFGYIQKTYFI-UHFFFAOYSA-N
XLogP5.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
(4-ethenylphenyl) 2-(3-methylcyclohex-3-en-1-yl)propan-2-yl carbonate
CID 70144486
tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;methyl 2-methylprop-2-enoate
CID 67421785
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166
(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
CID 140648641
tert-butyl (4-ethenylphenyl) carbonate;4-ethenylphenol;2-(2-ethoxyethoxy)ethenylbenzene
CID 158185481
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
[4-[4-[4-(1-ethoxy-1-methoxyethoxy)phenyl]buta-1,3-dienyl]phenyl] 3-[4-(2-hydroxyethenyl)phenyl]-2,2-dimethylpropanoate
CID 87583294
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
pentacontamethyl 1-[(4-ethenylphenyl)methyl]-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontamethylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylate
CID 58427599

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate?
The IUPAC name of (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate (CID 67428823) is (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate.
What is the SMILES notation for (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate?
The canonical SMILES for (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate is C=Cc1ccc(OC(=O)OC(C)(C)Cc2ccc(C=CO)cc2)cc1.
What is the InChIKey of (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate?
The InChIKey is CQUGFGYIQKTYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-4-16-9-11-19(12-10-16)24-20(23)25-21(2,3)15-18-7-5-17(6-8-18)13-14-22/h4-14,22H,1,15H2,2-3H3.
What are the key properties of (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate?
(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate has a molecular weight of 338.40 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate is sourced from PubChem (CID 67428823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).