4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene

C24H26O2 — CID 142214031

IUPAC4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene
SMILESCCCc1ccc(COc2ccccc2)cc1OCCc1ccccc1
InChIInChI=1S/C24H26O2/c1-2-9-22-15-14-21(19-26-23-12-7-4-8-13-23)18-24(22)25-17-16-20-10-5-3-6-11-20/h3-8,10-15,18H,2,9,16-17,19H2,1H3
InChIKeyNMZJWMWGIJEEFJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.84
Rot. Bonds9

About 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene

4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene (PubChem CID 142214031) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene.

Molecular Properties

Compound Name4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene
PubChem CID142214031
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene
SMILESCCCc1ccc(COc2ccccc2)cc1OCCc1ccccc1
InChIInChI=1S/C24H26O2/c1-2-9-22-15-14-21(19-26-23-12-7-4-8-13-23)18-24(22)25-17-16-20-10-5-3-6-11-20/h3-8,10-15,18H,2,9,16-17,19H2,1H3
InChIKeyNMZJWMWGIJEEFJ-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
2-[[5-(phenoxymethyl)-2-propylphenyl]methyl]naphthalene
CID 142214183
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-[[3-(2-naphthalen-2-ylethoxy)-4-propylphenyl]methyl]pyrazole
CID 142213921
phenyl 3-[(4-propylphenoxy)methyl]benzoate
CID 10736361
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571
3-phenylmethoxy-4-propylpyridine
CID 154694939
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene?
The IUPAC name of 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene (CID 142214031) is 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene.
What is the SMILES notation for 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene?
The canonical SMILES for 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene is CCCc1ccc(COc2ccccc2)cc1OCCc1ccccc1.
What is the InChIKey of 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene?
The InChIKey is NMZJWMWGIJEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-2-9-22-15-14-21(19-26-23-12-7-4-8-13-23)18-24(22)25-17-16-20-10-5-3-6-11-20/h3-8,10-15,18H,2,9,16-17,19H2,1H3.
What are the key properties of 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene?
4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene has a molecular weight of 346.47 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene is sourced from PubChem (CID 142214031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).