1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane

C17H20Cl2O — CID 142233914

IUPAC1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
SMILESCC.CCc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2O.C2H6/c1-2-11-6-8-12(9-7-11)18-10-13-14(16)4-3-5-15(13)17;1-2/h3-9H,2,10H2,1H3;1-2H3
InChIKeyFDSGDXVFFXSAIK-UHFFFAOYSA-N
MW311.25 g/mol
LogP6.16
Rot. Bonds4

About 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane

1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane (PubChem CID 142233914) has the molecular formula C17H20Cl2O and a molecular weight of 311.25 g/mol. Its IUPAC name is 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane.

Molecular Properties

Compound Name1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
PubChem CID142233914
Molecular FormulaC17H20Cl2O
Molecular Weight311.25 g/mol
Exact Mass310.09
IUPAC Name1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
SMILESCC.CCc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2O.C2H6/c1-2-11-6-8-12(9-7-11)18-10-13-14(16)4-3-5-15(13)17;1-2/h3-9H,2,10H2,1H3;1-2H3
InChIKeyFDSGDXVFFXSAIK-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.25
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butane;1-chloro-2-[(4-ethylphenoxy)methyl]-3-methylbenzene;ethane
CID 142992216
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxy-3-oxopropanoic acid
CID 70021605
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane?
The IUPAC name of 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane (CID 142233914) is 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane.
What is the SMILES notation for 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane?
The canonical SMILES for 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane is CC.CCc1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane?
The InChIKey is FDSGDXVFFXSAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O.C2H6/c1-2-11-6-8-12(9-7-11)18-10-13-14(16)4-3-5-15(13)17;1-2/h3-9H,2,10H2,1H3;1-2H3.
What are the key properties of 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane?
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane has a molecular weight of 311.25 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane is sourced from PubChem (CID 142233914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).