ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate

C16H16O3 — CID 25139319

IUPACethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-16(18)10-12-6-8-13(9-7-12)14-4-3-5-15(17)11-14/h3-9,11,17H,2,10H2,1H3
InChIKeyPQZHFWYSUCMFIU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.16
Rot. Bonds4

About ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate

ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate (PubChem CID 25139319) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
PubChem CID25139319
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-16(18)10-12-6-8-13(9-7-12)14-4-3-5-15(17)11-14/h3-9,11,17H,2,10H2,1H3
InChIKeyPQZHFWYSUCMFIU-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl 2-(4-phenylphenyl)acetate;2-(2-phenylphenyl)acetic acid
CID 70442423
ethyl 2-phenylacetate
CID 7590
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
ethyl 2-[3-(2-hydroxyphenyl)phenyl]acetate
CID 23218458
ethyl 2-[3-[4-(dibenzylamino)phenyl]phenyl]acetate
CID 59464307
ethyl 2-phenylacetate;hydrate
CID 141257001
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
ethyl 2-[1-[(4-butoxyphenyl)methyl]-6-(3-hydroxyphenyl)indol-3-yl]acetate
CID 70294420
ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate
CID 73333943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate (CID 25139319) is ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate is CCOC(=O)Cc1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate?
The InChIKey is PQZHFWYSUCMFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-19-16(18)10-12-6-8-13(9-7-12)14-4-3-5-15(17)11-14/h3-9,11,17H,2,10H2,1H3.
What are the key properties of ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate?
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate has a molecular weight of 256.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate is sourced from PubChem (CID 25139319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).