(4-phenylphenyl) prop-1-en-2-yl carbonate

C16H14O3 — CID 167089525

IUPAC(4-phenylphenyl) prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c1-12(2)18-16(17)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3
InChIKeyWEMLUEFDAQUQMY-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.40
Rot. Bonds3

About (4-phenylphenyl) prop-1-en-2-yl carbonate

(4-phenylphenyl) prop-1-en-2-yl carbonate (PubChem CID 167089525) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (4-phenylphenyl) prop-1-en-2-yl carbonate.

Molecular Properties

Compound Name(4-phenylphenyl) prop-1-en-2-yl carbonate
PubChem CID167089525
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(4-phenylphenyl) prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O3/c1-12(2)18-16(17)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3
InChIKeyWEMLUEFDAQUQMY-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
phenyl (4-prop-1-en-2-ylphenyl) carbonate
CID 154230592
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
[(E)-but-2-en-2-yl] phenyl carbonate
CID 121217638
(4-methylphenyl) 2-methyl-4-(4-prop-1-en-2-yloxycarbonyloxybenzoyl)oxybenzoate
CID 145123611
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
phenoxycarbonyl 2-methylbut-2-enoate
CID 175490227
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl] acetate
CID 163460715
diphenyl carbonate;phenyl acetate
CID 90936233
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) prop-1-en-2-yl carbonate?
The IUPAC name of (4-phenylphenyl) prop-1-en-2-yl carbonate (CID 167089525) is (4-phenylphenyl) prop-1-en-2-yl carbonate.
What is the SMILES notation for (4-phenylphenyl) prop-1-en-2-yl carbonate?
The canonical SMILES for (4-phenylphenyl) prop-1-en-2-yl carbonate is C=C(C)OC(=O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) prop-1-en-2-yl carbonate?
The InChIKey is WEMLUEFDAQUQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-12(2)18-16(17)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,1H2,2H3.
What are the key properties of (4-phenylphenyl) prop-1-en-2-yl carbonate?
(4-phenylphenyl) prop-1-en-2-yl carbonate has a molecular weight of 254.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) prop-1-en-2-yl carbonate is sourced from PubChem (CID 167089525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).