[4-(ethoxymethyl)phenyl]-phenylmethanone

C16H16O2 — CID 3085642

IUPAC[4-(ethoxymethyl)phenyl]-phenylmethanone
SMILESCCOCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-18-12-13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyBOKVHSQSGCOCNG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.45
Rot. Bonds5

About [4-(ethoxymethyl)phenyl]-phenylmethanone

[4-(ethoxymethyl)phenyl]-phenylmethanone (PubChem CID 3085642) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [4-(ethoxymethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(ethoxymethyl)phenyl]-phenylmethanone
PubChem CID3085642
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[4-(ethoxymethyl)phenyl]-phenylmethanone
SMILESCCOCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-18-12-13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyBOKVHSQSGCOCNG-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(ethoxymethyl)phenyl]-phenylmethanone (CID 3085642) is [4-(ethoxymethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(ethoxymethyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(ethoxymethyl)phenyl]-phenylmethanone is CCOCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(ethoxymethyl)phenyl]-phenylmethanone?
The InChIKey is BOKVHSQSGCOCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-18-12-13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3.
What are the key properties of [4-(ethoxymethyl)phenyl]-phenylmethanone?
[4-(ethoxymethyl)phenyl]-phenylmethanone has a molecular weight of 240.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 3085642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).