3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid

C18H26O2 — CID 65409274

IUPAC3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(Cc2ccc(C(C)C)cc2)(C(=O)O)C1
InChIInChI=1S/C18H26O2/c1-4-14-9-10-18(11-14,17(19)20)12-15-5-7-16(8-6-15)13(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyFDROSQUMWZEIOA-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.63
Rot. Bonds5

About 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid

3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 65409274) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID65409274
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(Cc2ccc(C(C)C)cc2)(C(=O)O)C1
InChIInChI=1S/C18H26O2/c1-4-14-9-10-18(11-14,17(19)20)12-15-5-7-16(8-6-15)13(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,20)
InChIKeyFDROSQUMWZEIOA-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[(4-iodophenyl)methyl]cyclopentane-1-carboxylic acid
CID 65491186
1-[(4-chlorophenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65402506
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carboxylic acid
CID 103041924
1-[(4-bromophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393284
1-[(4-chlorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425479
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 107889008
3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79428964
1-[(4-butan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116928741
1-[(4-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65424126
1-[(3-chlorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65392667
3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 65409459
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65403118

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid (CID 65409274) is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid is CCC1CCC(Cc2ccc(C(C)C)cc2)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FDROSQUMWZEIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-14-9-10-18(11-14,17(19)20)12-15-5-7-16(8-6-15)13(2)3/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid?
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65409274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).