1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid

C15H19ClO2 — CID 65003856

IUPAC1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid
SMILESCCC1(CC)CC(C(=O)O)(c2ccccc2Cl)C1
InChIInChI=1S/C15H19ClO2/c1-3-14(4-2)9-15(10-14,13(17)18)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyGQBUHRADFMYVIX-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.26
Rot. Bonds4

About 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid

1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid (PubChem CID 65003856) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid
PubChem CID65003856
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid
SMILESCCC1(CC)CC(C(=O)O)(c2ccccc2Cl)C1
InChIInChI=1S/C15H19ClO2/c1-3-14(4-2)9-15(10-14,13(17)18)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyGQBUHRADFMYVIX-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid
CID 82802680
1-(2,6-dichlorophenyl)-3,3-dipropylcyclobutane-1-carboxylic acid
CID 65005288
1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
CID 115042902
4-(2-chlorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681779
3,3-diethyl-1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 80524049
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
8-(2-chlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 12595559
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117395054
1-(2-chlorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 110436910
1-(2-chlorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 83842824
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid (CID 65003856) is 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid is CCC1(CC)CC(C(=O)O)(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid?
The InChIKey is GQBUHRADFMYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-3-14(4-2)9-15(10-14,13(17)18)11-7-5-6-8-12(11)16/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid?
1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid has a molecular weight of 266.77 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65003856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).