1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene

C18H22O3 — CID 123874930

IUPAC1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
SMILESCCOc1ccc(COCc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H22O3/c1-3-20-17-9-5-15(6-10-17)13-19-14-16-7-11-18(12-8-16)21-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyFPVSQBRXVBXEAS-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.20
Rot. Bonds8

About 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene

1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene (PubChem CID 123874930) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
PubChem CID123874930
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
SMILESCCOc1ccc(COCc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H22O3/c1-3-20-17-9-5-15(6-10-17)13-19-14-16-7-11-18(12-8-16)21-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKeyFPVSQBRXVBXEAS-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
2-[(4-ethoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846735
(4-ethoxyphenyl)methyl methanesulfonate
CID 91756757
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
1-ethoxy-4-(phenylsulfanyloxymethyl)benzene
CID 19993322
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
CID 107086638
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
(4-ethoxyphenyl)methyl 2-methylbutanoate
CID 146892900
ethane;[4-(ethoxymethyl)phenoxy]methyl formate
CID 155685271

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene?
The IUPAC name of 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene (CID 123874930) is 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene is CCOc1ccc(COCc2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene?
The InChIKey is FPVSQBRXVBXEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-20-17-9-5-15(6-10-17)13-19-14-16-7-11-18(12-8-16)21-4-2/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene?
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene has a molecular weight of 286.37 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene is sourced from PubChem (CID 123874930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).