2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid

C16H20Cl2O2 — CID 43804838

IUPAC2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H20Cl2O2/c17-13-5-4-12(10-14(13)18)6-9-16(11-15(19)20)7-2-1-3-8-16/h4-5,10H,1-3,6-9,11H2,(H,19,20)
InChIKeyJLDWMYGKBKRILT-UHFFFAOYSA-N
MW315.24 g/mol
LogP5.35
Rot. Bonds5

About 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid

2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid (PubChem CID 43804838) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid
PubChem CID43804838
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Name2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C16H20Cl2O2/c17-13-5-4-12(10-14(13)18)6-9-16(11-15(19)20)7-2-1-3-8-16/h4-5,10H,1-3,6-9,11H2,(H,19,20)
InChIKeyJLDWMYGKBKRILT-UHFFFAOYSA-N
XLogP5.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 63536675
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
CID 61070769
2-[1-[(3,4-dichlorophenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443709
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
CID 80532221
2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid
CID 61070388
2-[1-[(3,4-dichlorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441505
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
2-[1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004327
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid
CID 104546079

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid (CID 43804838) is 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CCc2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid?
The InChIKey is JLDWMYGKBKRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c17-13-5-4-12(10-14(13)18)6-9-16(11-15(19)20)7-2-1-3-8-16/h4-5,10H,1-3,6-9,11H2,(H,19,20).
What are the key properties of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid?
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid has a molecular weight of 315.24 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43804838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).