ethane;phenylmethoxymethylbenzene

C18H26O — CID 90943549

IUPACethane;phenylmethoxymethylbenzene
SMILESCC.CC.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.2C2H6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2;2*1-2H3
InChIKeyILFRLPMHWSTOHS-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.46
Rot. Bonds4

About ethane;phenylmethoxymethylbenzene

ethane;phenylmethoxymethylbenzene (PubChem CID 90943549) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is ethane;phenylmethoxymethylbenzene.

Molecular Properties

Compound Nameethane;phenylmethoxymethylbenzene
PubChem CID90943549
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Nameethane;phenylmethoxymethylbenzene
SMILESCC.CC.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.2C2H6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2;2*1-2H3
InChIKeyILFRLPMHWSTOHS-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;phenylmethoxymethylbenzene?
The IUPAC name of ethane;phenylmethoxymethylbenzene (CID 90943549) is ethane;phenylmethoxymethylbenzene.
What is the SMILES notation for ethane;phenylmethoxymethylbenzene?
The canonical SMILES for ethane;phenylmethoxymethylbenzene is CC.CC.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of ethane;phenylmethoxymethylbenzene?
The InChIKey is ILFRLPMHWSTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.2C2H6/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2;2*1-2H3.
What are the key properties of ethane;phenylmethoxymethylbenzene?
ethane;phenylmethoxymethylbenzene has a molecular weight of 258.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenylmethoxymethylbenzene is sourced from PubChem (CID 90943549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).