2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid

C19H26O4 — CID 146004249

IUPAC2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)(C)Oc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C19H26O4/c1-18(2,3)23-15-8-6-14(7-9-15)16(20)12-19(13-17(21)22)10-4-5-11-19/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyQYXWEMFGXZWOND-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.47
Rot. Bonds6

About 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 146004249) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID146004249
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)(C)Oc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C19H26O4/c1-18(2,3)23-15-8-6-14(7-9-15)16(20)12-19(13-17(21)22)10-4-5-11-19/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyQYXWEMFGXZWOND-UHFFFAOYSA-N
XLogP4.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004384
2-[1-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004327
4-bromo-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-one
CID 146005406
2-[1-(aminomethyl)cyclohexyl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 116614346
1-[4-(2-aminoethoxy)phenyl]-2-(1-ethylcyclopentyl)ethanone
CID 22978354
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-methylsulfanylpropan-1-one
CID 146005409
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
ethyl 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-oxopropanoate
CID 22308842
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
2-[1-[2-(5-chloro-2-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004335
2,2,3,3,3-pentafluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
CID 146005397

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid (CID 146004249) is 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid is CC(C)(C)Oc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is QYXWEMFGXZWOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-18(2,3)23-15-8-6-14(7-9-15)16(20)12-19(13-17(21)22)10-4-5-11-19/h6-9H,4-5,10-13H2,1-3H3,(H,21,22).
What are the key properties of 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 318.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 146004249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).