1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride

C18H26Cl3O- — CID 161293089

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride
SMILESCCC(CC(O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(C)C.[Cl-]
InChIInChI=1S/C18H26Cl2O.ClH/c1-4-13(12(2)3)10-17(21)18(8-5-9-18)14-6-7-15(19)16(20)11-14;/h6-7,11-13,17,21H,4-5,8-10H2,1-3H3;1H/p-1
InChIKeyIGLWKRJVKIXCDZ-UHFFFAOYSA-M
MW364.76 g/mol
LogP2.85
Rot. Bonds6

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride

1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride (PubChem CID 161293089) has the molecular formula C18H26Cl3O- and a molecular weight of 364.76 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride
PubChem CID161293089
Molecular FormulaC18H26Cl3O-
Molecular Weight364.76 g/mol
Exact Mass363.11
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride
SMILESCCC(CC(O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(C)C.[Cl-]
InChIInChI=1S/C18H26Cl2O.ClH/c1-4-13(12(2)3)10-17(21)18(8-5-9-18)14-6-7-15(19)16(20)11-14;/h6-7,11-13,17,21H,4-5,8-10H2,1-3H3;1H/p-1
InChIKeyIGLWKRJVKIXCDZ-UHFFFAOYSA-M
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-diethylazanium
CID 144796606
[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]-(1-methylcyclopropyl)azanium
CID 140667647
(1S)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 121492395
cyclobutyl-[2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
CID 140667641
2-[1-(3,4-dichlorophenyl)cyclobutyl]-2-hydroxyacetonitrile
CID 19823670
8-[1-(3,4-dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-ol
CID 19823631
1-[1-(3,4-dichlorophenyl)cyclobutyl]-1-(dimethylamino)butan-2-one
CID 19823701
1-[1-(3,4-dichlorophenyl)cyclohexyl]-N,3-dimethylbutan-1-amine
CID 53321125
5-[1-(3,4-dichlorophenyl)cyclobutyl]-5-(dimethylamino)pentane-1,2-diol
CID 19823817
N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide
CID 13279955
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
4-[[(1S)-1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-methylbutyl]amino]butanamide
CID 56596390

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride (CID 161293089) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride is CCC(CC(O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(C)C.[Cl-].
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride?
The InChIKey is IGLWKRJVKIXCDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26Cl2O.ClH/c1-4-13(12(2)3)10-17(21)18(8-5-9-18)14-6-7-15(19)16(20)11-14;/h6-7,11-13,17,21H,4-5,8-10H2,1-3H3;1H/p-1.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride has a molecular weight of 364.76 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethyl-4-methylpentan-1-ol chloride is sourced from PubChem (CID 161293089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).