[3-(1-methoxyethyl)phenyl]-phenylmethanone

C16H16O2 — CID 129318293

IUPAC[3-(1-methoxyethyl)phenyl]-phenylmethanone
SMILESCOC(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12(18-2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyOBLNNELRCDMDQJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.62
Rot. Bonds4

About [3-(1-methoxyethyl)phenyl]-phenylmethanone

[3-(1-methoxyethyl)phenyl]-phenylmethanone (PubChem CID 129318293) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [3-(1-methoxyethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(1-methoxyethyl)phenyl]-phenylmethanone
PubChem CID129318293
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[3-(1-methoxyethyl)phenyl]-phenylmethanone
SMILESCOC(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12(18-2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyOBLNNELRCDMDQJ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxyethyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(1-methoxyethyl)phenyl]-phenylmethanone (CID 129318293) is [3-(1-methoxyethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(1-methoxyethyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(1-methoxyethyl)phenyl]-phenylmethanone is COC(C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-(1-methoxyethyl)phenyl]-phenylmethanone?
The InChIKey is OBLNNELRCDMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(18-2)14-9-6-10-15(11-14)16(17)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of [3-(1-methoxyethyl)phenyl]-phenylmethanone?
[3-(1-methoxyethyl)phenyl]-phenylmethanone has a molecular weight of 240.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxyethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 129318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).