ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate

C29H26O4 — CID 73333943

IUPACethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26O4/c1-2-32-29(31)20-33-28-17-14-25(24-12-15-27(30)16-13-24)19-26(28)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-17,19,30H,2,18,20H2,1H3
InChIKeyOMFYIPSOVAXIFI-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.26
Rot. Bonds8

About ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate

ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate (PubChem CID 73333943) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate
PubChem CID73333943
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Nameethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26O4/c1-2-32-29(31)20-33-28-17-14-25(24-12-15-27(30)16-13-24)19-26(28)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-17,19,30H,2,18,20H2,1H3
InChIKeyOMFYIPSOVAXIFI-UHFFFAOYSA-N
XLogP6.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-benzyl-4-[3-benzyl-4-[2-[2-(dimethylamino)ethyl]cyclopropyl]phenyl]phenoxy]acetate
CID 143867451
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]naphthalen-1-yl]oxyacetate
CID 162522398
2-[2-benzyl-4-[3-benzyl-4-[2-(dimethylamino)ethoxy]phenyl]phenoxy]acetic acid;hydrochloride
CID 44557839
ethyl 2-[4-(2-oxopropyl)phenoxy]acetate;1-(4-hydroxyphenyl)propan-2-one
CID 159239031
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
ethyl (3R)-3-hydroxy-4-(2-methoxy-5-phenylphenyl)butanoate
CID 125477745
[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate
CID 87969376
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetraphenyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
CID 101405265
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate (CID 73333943) is ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate?
The InChIKey is OMFYIPSOVAXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4/c1-2-32-29(31)20-33-28-17-14-25(24-12-15-27(30)16-13-24)19-26(28)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-17,19,30H,2,18,20H2,1H3.
What are the key properties of ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate?
ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate has a molecular weight of 438.52 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate is sourced from PubChem (CID 73333943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).