[3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone

C20H24O3 — CID 170274723

IUPAC[3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone
SMILESCCOC(C)(CC)c1cc(C(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C20H24O3/c1-5-20(3,23-6-2)17-14-16(12-13-18(17)22-4)19(21)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3
InChIKeyPPJLJTGSDJAHBO-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.59
Rot. Bonds7

About [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone

[3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone (PubChem CID 170274723) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone
PubChem CID170274723
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name[3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone
SMILESCCOC(C)(CC)c1cc(C(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C20H24O3/c1-5-20(3,23-6-2)17-14-16(12-13-18(17)22-4)19(21)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3
InChIKeyPPJLJTGSDJAHBO-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone?
The IUPAC name of [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone (CID 170274723) is [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone is CCOC(C)(CC)c1cc(C(=O)c2ccccc2)ccc1OC.
What is the InChIKey of [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone?
The InChIKey is PPJLJTGSDJAHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-5-20(3,23-6-2)17-14-16(12-13-18(17)22-4)19(21)15-10-8-7-9-11-15/h7-14H,5-6H2,1-4H3.
What are the key properties of [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone?
[3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone has a molecular weight of 312.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxybutan-2-yl)-4-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 170274723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).