[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate

C31H24O4 — CID 141213941

IUPAC[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccccc2)c(OC(=O)C(=C)C)c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C31H24O4/c1-4-28(32)34-27-20-19-25(23-15-9-6-10-16-23)30(35-31(33)21(2)3)29(27)26-18-12-11-17-24(26)22-13-7-5-8-14-22/h4-20H,1-2H2,3H3
InChIKeyKKGMSDKUXQYEDA-UHFFFAOYSA-N
MW460.53 g/mol
LogP7.26
Rot. Bonds7

About [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate

[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate (PubChem CID 141213941) has the molecular formula C31H24O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
PubChem CID141213941
Molecular FormulaC31H24O4
Molecular Weight460.53 g/mol
Exact Mass460.17
IUPAC Name[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccccc2)c(OC(=O)C(=C)C)c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C31H24O4/c1-4-28(32)34-27-20-19-25(23-15-9-6-10-16-23)30(35-31(33)21(2)3)29(27)26-18-12-11-17-24(26)22-13-7-5-8-14-22/h4-20H,1-2H2,3H3
InChIKeyKKGMSDKUXQYEDA-UHFFFAOYSA-N
XLogP7.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
(6-methyl-2,3-diphenylphenyl) prop-2-enoate
CID 174611973
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-prop-2-enoyloxyphenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118975632
azane;(2-ethyl-3-methyl-4-phenylphenyl) prop-2-enoate;hydrochloride
CID 174661584
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
fluoranthen-1-yl 2-methylprop-2-enoate
CID 164546772
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
[4-[2-[4-[4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethynyl]-2-prop-2-enoyloxyphenyl]phenyl]ethynyl]phenyl] 2-methylprop-2-enoate
CID 118605590
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270

Frequently Asked Questions

What is the IUPAC name of [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
The IUPAC name of [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate (CID 141213941) is [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccccc2)c(OC(=O)C(=C)C)c1-c1ccccc1-c1ccccc1.
What is the InChIKey of [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
The InChIKey is KKGMSDKUXQYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O4/c1-4-28(32)34-27-20-19-25(23-15-9-6-10-16-23)30(35-31(33)21(2)3)29(27)26-18-12-11-17-24(26)22-13-7-5-8-14-22/h4-20H,1-2H2,3H3.
What are the key properties of [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate?
[6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate has a molecular weight of 460.53 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenyl-2-(2-phenylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141213941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).