2-(phenylmethoxymethyl)butoxymethylbenzene

C19H24O2 — CID 563230

IUPAC2-(phenylmethoxymethyl)butoxymethylbenzene
SMILESCCC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H24O2/c1-2-17(13-20-15-18-9-5-3-6-10-18)14-21-16-19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3
InChIKeySOMSLSTWYULWJW-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.45
Rot. Bonds9

About 2-(phenylmethoxymethyl)butoxymethylbenzene

2-(phenylmethoxymethyl)butoxymethylbenzene (PubChem CID 563230) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)butoxymethylbenzene.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)butoxymethylbenzene
PubChem CID563230
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-(phenylmethoxymethyl)butoxymethylbenzene
SMILESCCC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C19H24O2/c1-2-17(13-20-15-18-9-5-3-6-10-18)14-21-16-19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3
InChIKeySOMSLSTWYULWJW-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)butoxymethylbenzene?
The IUPAC name of 2-(phenylmethoxymethyl)butoxymethylbenzene (CID 563230) is 2-(phenylmethoxymethyl)butoxymethylbenzene.
What is the SMILES notation for 2-(phenylmethoxymethyl)butoxymethylbenzene?
The canonical SMILES for 2-(phenylmethoxymethyl)butoxymethylbenzene is CCC(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxymethyl)butoxymethylbenzene?
The InChIKey is SOMSLSTWYULWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-2-17(13-20-15-18-9-5-3-6-10-18)14-21-16-19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3.
What are the key properties of 2-(phenylmethoxymethyl)butoxymethylbenzene?
2-(phenylmethoxymethyl)butoxymethylbenzene has a molecular weight of 284.40 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)butoxymethylbenzene is sourced from PubChem (CID 563230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).