4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol

C22H22O6 — CID 132555235

IUPAC4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol
SMILESOc1cc(O)cc(OCCc2ccc(OCCc3ccc(O)c(O)c3)cc2)c1
InChIInChI=1S/C22H22O6/c23-17-12-18(24)14-20(13-17)28-9-7-15-1-4-19(5-2-15)27-10-8-16-3-6-21(25)22(26)11-16/h1-6,11-14,23-26H,7-10H2
InChIKeyWVKMSHOBVYAYPJ-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.75
Rot. Bonds8

About 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol

4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol (PubChem CID 132555235) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol
PubChem CID132555235
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol
SMILESOc1cc(O)cc(OCCc2ccc(OCCc3ccc(O)c(O)c3)cc2)c1
InChIInChI=1S/C22H22O6/c23-17-12-18(24)14-20(13-17)28-9-7-15-1-4-19(5-2-15)27-10-8-16-3-6-21(25)22(26)11-16/h1-6,11-14,23-26H,7-10H2
InChIKeyWVKMSHOBVYAYPJ-UHFFFAOYSA-N
XLogP3.75
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
2-(3,4-dihydroxyphenyl)ethyl hydrogen carbonate
CID 163076711
5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
CID 59939789
2-phenyl-4-(2-phenylethoxy)phenol
CID 57032824
2-phenylethyl 2-(3,4-dihydroxyphenyl)acetate
CID 138558195
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-hexoxybenzene-1,2-diol
CID 23459322
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
3-decoxy-5-[6-(3,4-dihydroxyphenyl)hexoxy]benzoic acid
CID 18951538
2-[6-[6-(3,4-dihydroxyphenyl)hexoxy]naphthalen-2-yl]acetic acid;methane
CID 23045789

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol (CID 132555235) is 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol is Oc1cc(O)cc(OCCc2ccc(OCCc3ccc(O)c(O)c3)cc2)c1.
What is the InChIKey of 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol?
The InChIKey is WVKMSHOBVYAYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c23-17-12-18(24)14-20(13-17)28-9-7-15-1-4-19(5-2-15)27-10-8-16-3-6-21(25)22(26)11-16/h1-6,11-14,23-26H,7-10H2.
What are the key properties of 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol?
4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol has a molecular weight of 382.41 g/mol, XLogP of 3.75, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol is sourced from PubChem (CID 132555235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).