4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene

C19H24O — CID 162435461

IUPAC4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene
SMILESCCc1ccc(-c2ccccc2COC)c(C(C)C)c1
InChIInChI=1S/C19H24O/c1-5-15-10-11-18(19(12-15)14(2)3)17-9-7-6-8-16(17)13-20-4/h6-12,14H,5,13H2,1-4H3
InChIKeyXZHJXENSASLVNE-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.19
Rot. Bonds5

About 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene

4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene (PubChem CID 162435461) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene
PubChem CID162435461
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene
SMILESCCc1ccc(-c2ccccc2COC)c(C(C)C)c1
InChIInChI=1S/C19H24O/c1-5-15-10-11-18(19(12-15)14(2)3)17-9-7-6-8-16(17)13-20-4/h6-12,14H,5,13H2,1-4H3
InChIKeyXZHJXENSASLVNE-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene?
The IUPAC name of 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene (CID 162435461) is 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene?
The canonical SMILES for 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene is CCc1ccc(-c2ccccc2COC)c(C(C)C)c1.
What is the InChIKey of 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene?
The InChIKey is XZHJXENSASLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-5-15-10-11-18(19(12-15)14(2)3)17-9-7-6-8-16(17)13-20-4/h6-12,14H,5,13H2,1-4H3.
What are the key properties of 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene?
4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene has a molecular weight of 268.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(methoxymethyl)phenyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 162435461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).