2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane

C24H30O6 — CID 102211763

IUPAC2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
SMILESC=CCOc1ccc(OCCOc2ccc(COC3CCCCO3)cc2OC)cc1
InChIInChI=1S/C24H30O6/c1-3-13-26-20-8-10-21(11-9-20)27-15-16-28-22-12-7-19(17-23(22)25-2)18-30-24-6-4-5-14-29-24/h3,7-12,17,24H,1,4-6,13-16,18H2,2H3
InChIKeyTYUCNMABUPPVRH-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.76
Rot. Bonds12

About 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane

2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane (PubChem CID 102211763) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane.

Molecular Properties

Compound Name2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
PubChem CID102211763
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
SMILESC=CCOc1ccc(OCCOc2ccc(COC3CCCCO3)cc2OC)cc1
InChIInChI=1S/C24H30O6/c1-3-13-26-20-8-10-21(11-9-20)27-15-16-28-22-12-7-19(17-23(22)25-2)18-30-24-6-4-5-14-29-24/h3,7-12,17,24H,1,4-6,13-16,18H2,2H3
InChIKeyTYUCNMABUPPVRH-UHFFFAOYSA-N
XLogP4.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-methoxy-4-(1,1,2,2-tetradeuterio-2-iodoethoxy)phenyl]methoxy]oxane
CID 101144940
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
5,15,25-tris(methoxymethyl)-10,20,30-tris[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
CID 138964602
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-[[4-(2-bromoethoxy)-3,5-dimethoxyphenyl]methoxy]oxane
CID 71733596
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
CID 101144934
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
1-[5-(oxan-2-yloxy)-2-prop-2-enoxyphenyl]ethanone
CID 12566051
2-[3-[4-(cyclobutylidenemethyl)-2-methoxyphenoxy]propoxy]oxane;methanamine
CID 143437489
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane?
The IUPAC name of 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane (CID 102211763) is 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane.
What is the SMILES notation for 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane?
The canonical SMILES for 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane is C=CCOc1ccc(OCCOc2ccc(COC3CCCCO3)cc2OC)cc1.
What is the InChIKey of 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane?
The InChIKey is TYUCNMABUPPVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-3-13-26-20-8-10-21(11-9-20)27-15-16-28-22-12-7-19(17-23(22)25-2)18-30-24-6-4-5-14-29-24/h3,7-12,17,24H,1,4-6,13-16,18H2,2H3.
What are the key properties of 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane?
2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane has a molecular weight of 414.50 g/mol, XLogP of 4.76, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane is sourced from PubChem (CID 102211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).