2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene

C17H19ClO2 — CID 15571456

IUPAC2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene
SMILESCCc1ccc(OC)c(C(OC)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO2/c1-4-12-5-10-16(19-2)15(11-12)17(20-3)13-6-8-14(18)9-7-13/h5-11,17H,4H2,1-3H3
InChIKeyVSPODEPTEKTCLN-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.65
Rot. Bonds5

About 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene

2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene (PubChem CID 15571456) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene
PubChem CID15571456
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene
SMILESCCc1ccc(OC)c(C(OC)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO2/c1-4-12-5-10-16(19-2)15(11-12)17(20-3)13-6-8-14(18)9-7-13/h5-11,17H,4H2,1-3H3
InChIKeyVSPODEPTEKTCLN-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene?
The IUPAC name of 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene (CID 15571456) is 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene.
What is the SMILES notation for 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene?
The canonical SMILES for 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene is CCc1ccc(OC)c(C(OC)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene?
The InChIKey is VSPODEPTEKTCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-4-12-5-10-16(19-2)15(11-12)17(20-3)13-6-8-14(18)9-7-13/h5-11,17H,4H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene?
2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene has a molecular weight of 290.79 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene is sourced from PubChem (CID 15571456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).