2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol

C17H26O5 — CID 175204467

IUPAC2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)C(c1ccccc1)C1CCCC1.OCCOCCO
InChIInChI=1S/C13H16O2.C4H10O3/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10;5-1-3-7-4-2-6/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15);5-6H,1-4H2
InChIKeyZHNRTADHMLPHHY-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.03
Rot. Bonds7

About 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol

2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol (PubChem CID 175204467) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
PubChem CID175204467
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
SMILESO=C(O)C(c1ccccc1)C1CCCC1.OCCOCCO
InChIInChI=1S/C13H16O2.C4H10O3/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10;5-1-3-7-4-2-6/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15);5-6H,1-4H2
InChIKeyZHNRTADHMLPHHY-UHFFFAOYSA-N
XLogP2.03
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
CID 58136304
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide
CID 21149401
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol (CID 175204467) is 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol is O=C(O)C(c1ccccc1)C1CCCC1.OCCOCCO.
What is the InChIKey of 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol?
The InChIKey is ZHNRTADHMLPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C4H10O3/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10;5-1-3-7-4-2-6/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15);5-6H,1-4H2.
What are the key properties of 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol?
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol has a molecular weight of 310.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 175204467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).