phenyl (4-prop-1-en-2-ylphenyl) carbonate

C16H14O3 — CID 154230592

IUPACphenyl (4-prop-1-en-2-ylphenyl) carbonate
SMILESC=C(C)c1ccc(OC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H14O3/c1-12(2)13-8-10-15(11-9-13)19-16(17)18-14-6-4-3-5-7-14/h3-11H,1H2,2H3
InChIKeyWIBKRHJKMQDZNA-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.30
Rot. Bonds3

About phenyl (4-prop-1-en-2-ylphenyl) carbonate

phenyl (4-prop-1-en-2-ylphenyl) carbonate (PubChem CID 154230592) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is phenyl (4-prop-1-en-2-ylphenyl) carbonate.

Molecular Properties

Compound Namephenyl (4-prop-1-en-2-ylphenyl) carbonate
PubChem CID154230592
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namephenyl (4-prop-1-en-2-ylphenyl) carbonate
SMILESC=C(C)c1ccc(OC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H14O3/c1-12(2)13-8-10-15(11-9-13)19-16(17)18-14-6-4-3-5-7-14/h3-11H,1H2,2H3
InChIKeyWIBKRHJKMQDZNA-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl carbonate;phenyl acetate
CID 90936233
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
diphenyl carbonate;ethane;molecular iodine
CID 159087497
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
buta-1,3-diene;diphenyl carbonate
CID 87173366
(4-fluorophenyl) phenyl carbonate
CID 555788
(4-phenylphenyl) prop-1-en-2-yl carbonate
CID 167089525
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
diphenyl carbonate;ethoxyethane
CID 67230205
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
prop-1-en-2-ylbenzene;silane
CID 174724970

Frequently Asked Questions

What is the IUPAC name of phenyl (4-prop-1-en-2-ylphenyl) carbonate?
The IUPAC name of phenyl (4-prop-1-en-2-ylphenyl) carbonate (CID 154230592) is phenyl (4-prop-1-en-2-ylphenyl) carbonate.
What is the SMILES notation for phenyl (4-prop-1-en-2-ylphenyl) carbonate?
The canonical SMILES for phenyl (4-prop-1-en-2-ylphenyl) carbonate is C=C(C)c1ccc(OC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl (4-prop-1-en-2-ylphenyl) carbonate?
The InChIKey is WIBKRHJKMQDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-12(2)13-8-10-15(11-9-13)19-16(17)18-14-6-4-3-5-7-14/h3-11H,1H2,2H3.
What are the key properties of phenyl (4-prop-1-en-2-ylphenyl) carbonate?
phenyl (4-prop-1-en-2-ylphenyl) carbonate has a molecular weight of 254.28 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (4-prop-1-en-2-ylphenyl) carbonate is sourced from PubChem (CID 154230592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).