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

C16H20Cl2O3 — CID 61270248

IUPAC2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(O)c2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C16H20Cl2O3/c17-11-4-5-12(13(18)8-11)14(19)9-16(10-15(20)21)6-2-1-3-7-16/h4-5,8,14,19H,1-3,6-7,9-10H2,(H,20,21)
InChIKeyGVYQYKWOKIXSBZ-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.84
Rot. Bonds5

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

2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid (PubChem CID 61270248) has the molecular formula C16H20Cl2O3 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
PubChem CID61270248
Molecular FormulaC16H20Cl2O3
Molecular Weight331.24 g/mol
Exact Mass330.08
IUPAC Name2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(O)c2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C16H20Cl2O3/c17-11-4-5-12(13(18)8-11)14(19)9-16(10-15(20)21)6-2-1-3-7-16/h4-5,8,14,19H,1-3,6-7,9-10H2,(H,20,21)
InChIKeyGVYQYKWOKIXSBZ-UHFFFAOYSA-N
XLogP4.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 105399247
2-[1-[2-(5-chloro-2-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004335
2-[1-[2-oxo-2-(2,4,6-trichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 105349518
2-[1-[2-hydroxy-2-(4-iodophenyl)ethyl]cyclopentyl]acetic acid
CID 61069302
2-[1-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexyl]acetic acid
CID 31617015
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
2-[1-[2-(5-bromo-4-methylthiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79992425
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(3,4-dibromothiophen-2-yl)-2-hydroxyethyl]cyclohexyl]acetic acid
CID 79601307
2-[1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004327
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid (CID 61270248) is 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(O)c2ccc(Cl)cc2Cl)CCCCC1.
What is the InChIKey of 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid?
The InChIKey is GVYQYKWOKIXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O3/c17-11-4-5-12(13(18)8-11)14(19)9-16(10-15(20)21)6-2-1-3-7-16/h4-5,8,14,19H,1-3,6-7,9-10H2,(H,20,21).
What are the key properties of 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid?
2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid has a molecular weight of 331.24 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 61270248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).