1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one

C36H30O5 — CID 175537344

IUPAC1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O
InChIInChI=1S/C36H30O5/c37-32-19-11-10-18-31(32)33(38)21-20-30-22-34(39-24-27-12-4-1-5-13-27)36(41-26-29-16-8-3-9-17-29)35(23-30)40-25-28-14-6-2-7-15-28/h1-23,37H,24-26H2
InChIKeyYDMDFMXZJODBBX-UHFFFAOYSA-N
MW542.63 g/mol
LogP8.03
Rot. Bonds12

About 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one

1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one (PubChem CID 175537344) has the molecular formula C36H30O5 and a molecular weight of 542.63 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
PubChem CID175537344
Molecular FormulaC36H30O5
Molecular Weight542.63 g/mol
Exact Mass542.21
IUPAC Name1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O
InChIInChI=1S/C36H30O5/c37-32-19-11-10-18-31(32)33(38)21-20-30-22-34(39-24-27-12-4-1-5-13-27)36(41-26-29-16-8-3-9-17-29)35(23-30)40-25-28-14-6-2-7-15-28/h1-23,37H,24-26H2
InChIKeyYDMDFMXZJODBBX-UHFFFAOYSA-N
XLogP8.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-[2-hydroxy-3,4,6-tris(phenylmethoxy)phenyl](113C)prop-2-en-1-one
CID 101023378
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
CID 11775336
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19540627
3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 89404903
3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 2780937
(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 151856282
1-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-hydroxyphenyl]-3-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]prop-2-en-1-one
CID 168806042
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one (CID 175537344) is 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one is O=C(C=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one?
The InChIKey is YDMDFMXZJODBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O5/c37-32-19-11-10-18-31(32)33(38)21-20-30-22-34(39-24-27-12-4-1-5-13-27)36(41-26-29-16-8-3-9-17-29)35(23-30)40-25-28-14-6-2-7-15-28/h1-23,37H,24-26H2.
What are the key properties of 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one?
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one has a molecular weight of 542.63 g/mol, XLogP of 8.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 175537344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).