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

C14H18Cl2O — CID 114193047

IUPAC1,4-dichloro-2-(2-cyclohexylethoxy)benzene
SMILESClc1ccc(Cl)c(OCCC2CCCCC2)c1
InChIInChI=1S/C14H18Cl2O/c15-12-6-7-13(16)14(10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyCAOCXUCREVNQNP-UHFFFAOYSA-N
MW273.20 g/mol
LogP5.34
Rot. Bonds4

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

1,4-dichloro-2-(2-cyclohexylethoxy)benzene (PubChem CID 114193047) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 1,4-dichloro-2-(2-cyclohexylethoxy)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2-cyclohexylethoxy)benzene
PubChem CID114193047
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name1,4-dichloro-2-(2-cyclohexylethoxy)benzene
SMILESClc1ccc(Cl)c(OCCC2CCCCC2)c1
InChIInChI=1S/C14H18Cl2O/c15-12-6-7-13(16)14(10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyCAOCXUCREVNQNP-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.20
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643
(2,5-dichlorophenyl) 3-cyclopentylpropanoate
CID 91712465
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-(2-cyclohexylethoxy)aniline
CID 54802030
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
1-(2-cyclohexylethoxy)-2-iodobenzene
CID 155907429
5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
CID 165460566
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2-cyclohexylethoxy)benzene?
The IUPAC name of 1,4-dichloro-2-(2-cyclohexylethoxy)benzene (CID 114193047) is 1,4-dichloro-2-(2-cyclohexylethoxy)benzene.
What is the SMILES notation for 1,4-dichloro-2-(2-cyclohexylethoxy)benzene?
The canonical SMILES for 1,4-dichloro-2-(2-cyclohexylethoxy)benzene is Clc1ccc(Cl)c(OCCC2CCCCC2)c1.
What is the InChIKey of 1,4-dichloro-2-(2-cyclohexylethoxy)benzene?
The InChIKey is CAOCXUCREVNQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c15-12-6-7-13(16)14(10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 1,4-dichloro-2-(2-cyclohexylethoxy)benzene?
1,4-dichloro-2-(2-cyclohexylethoxy)benzene has a molecular weight of 273.20 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2-cyclohexylethoxy)benzene is sourced from PubChem (CID 114193047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).