1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene

C17H19ClO2 — CID 57398314

IUPAC1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
SMILESCCc1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H19ClO2/c1-4-13-5-8-17(19-3)14(10-13)11-20-15-6-7-16(18)12(2)9-15/h5-10H,4,11H2,1-3H3
InChIKeyMBMNNLJIFDXRKQ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.80
Rot. Bonds5

About 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene

1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene (PubChem CID 57398314) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
PubChem CID57398314
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
SMILESCCc1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C17H19ClO2/c1-4-13-5-8-17(19-3)14(10-13)11-20-15-6-7-16(18)12(2)9-15/h5-10H,4,11H2,1-3H3
InChIKeyMBMNNLJIFDXRKQ-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090
(E)-3-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 19561072
(E)-3-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one
CID 19558920
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
(E)-1-(3,4-dichlorophenyl)-3-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19569109
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529604

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene (CID 57398314) is 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene is CCc1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene?
The InChIKey is MBMNNLJIFDXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-4-13-5-8-17(19-3)14(10-13)11-20-15-6-7-16(18)12(2)9-15/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene?
1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene has a molecular weight of 290.79 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 57398314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).