1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene

C15H20Cl2O — CID 57027605

IUPAC1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene
SMILESCC(OCc1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20Cl2O/c1-11(13-5-3-2-4-6-13)18-10-12-7-8-14(16)15(17)9-12/h7-9,11,13H,2-6,10H2,1H3
InChIKeyXTHAQUKMKBYPSP-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.48
Rot. Bonds4

About 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene

1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene (PubChem CID 57027605) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene
PubChem CID57027605
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene
SMILESCC(OCc1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20Cl2O/c1-11(13-5-3-2-4-6-13)18-10-12-7-8-14(16)15(17)9-12/h7-9,11,13H,2-6,10H2,1H3
InChIKeyXTHAQUKMKBYPSP-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
CID 95964233
1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
CID 63529747
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cycloheptanamine
CID 66533535
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 66535438
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene (CID 57027605) is 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene is CC(OCc1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene?
The InChIKey is XTHAQUKMKBYPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c1-11(13-5-3-2-4-6-13)18-10-12-7-8-14(16)15(17)9-12/h7-9,11,13H,2-6,10H2,1H3.
What are the key properties of 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene?
1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene has a molecular weight of 287.23 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene is sourced from PubChem (CID 57027605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).