methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate

C20H16O5 — CID 10314933

IUPACmethyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H16O5/c1-23-20(22)14-2-6-16(7-3-14)24-18-10-12-19(13-11-18)25-17-8-4-15(21)5-9-17/h2-13,21H,1H3
InChIKeyPYNDKPKXHLJFKJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.76
Rot. Bonds5

About methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate

methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate (PubChem CID 10314933) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
PubChem CID10314933
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Namemethyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H16O5/c1-23-20(22)14-2-6-16(7-3-14)24-18-10-12-19(13-11-18)25-17-8-4-15(21)5-9-17/h2-13,21H,1H3
InChIKeyPYNDKPKXHLJFKJ-UHFFFAOYSA-N
XLogP4.76
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
CID 159177716
CID 159177716
methyl 4-hydroxybenzoate;oxalyl dichloride
CID 174433291
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate?
The IUPAC name of methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate (CID 10314933) is methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate.
What is the SMILES notation for methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate?
The canonical SMILES for methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate is COC(=O)c1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate?
The InChIKey is PYNDKPKXHLJFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-23-20(22)14-2-6-16(7-3-14)24-18-10-12-19(13-11-18)25-17-8-4-15(21)5-9-17/h2-13,21H,1H3.
What are the key properties of methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate?
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate has a molecular weight of 336.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate is sourced from PubChem (CID 10314933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).