2-[4-(4-ethylphenyl)cyclohexyl]acetic acid

C16H22O2 — CID 82295361

IUPAC2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
SMILESCCc1ccc(C2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C16H22O2/c1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyNPERYGPWXBGYRV-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.00
Rot. Bonds4

About 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid

2-[4-(4-ethylphenyl)cyclohexyl]acetic acid (PubChem CID 82295361) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
PubChem CID82295361
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
SMILESCCc1ccc(C2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C16H22O2/c1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyNPERYGPWXBGYRV-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
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2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
CID 174637513
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-[4-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]cyclohexyl]acetic acid
CID 69004624
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
[3-(4-ethylphenyl)cyclopentyl]methanamine
CID 82282659

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid (CID 82295361) is 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid is CCc1ccc(C2CCC(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid?
The InChIKey is NPERYGPWXBGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid?
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid has a molecular weight of 246.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 82295361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).