ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate

C18H26O2 — CID 162013129

IUPACethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(CCC2CC2)cc1
InChIInChI=1S/C18H26O2/c1-2-20-18(19)6-4-3-5-15-7-9-16(10-8-15)11-12-17-13-14-17/h7-10,17H,2-6,11-14H2,1H3
InChIKeyYTSXXUCMLXCSPR-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.31
Rot. Bonds9

About ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate

ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate (PubChem CID 162013129) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate
PubChem CID162013129
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Nameethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(CCC2CC2)cc1
InChIInChI=1S/C18H26O2/c1-2-20-18(19)6-4-3-5-15-7-9-16(10-8-15)11-12-17-13-14-17/h7-10,17H,2-6,11-14H2,1H3
InChIKeyYTSXXUCMLXCSPR-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(4-pentylcyclohexyl)phenyl]butanoate
CID 138529185
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
ethyl 5-[4-[[4-(aminomethyl)cyclohexylidene]methyl]phenyl]pentanoate
CID 54350310
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 6-[4-(methylsulfanylmethyl)phenyl]hexanoate
CID 143472880
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
tert-butyl 4-(5-ethoxy-5-oxopentyl)benzoate
CID 14774610
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethyl 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]pentanoate
CID 19905466

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate?
The IUPAC name of ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate (CID 162013129) is ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate.
What is the SMILES notation for ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate?
The canonical SMILES for ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate is CCOC(=O)CCCCc1ccc(CCC2CC2)cc1.
What is the InChIKey of ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate?
The InChIKey is YTSXXUCMLXCSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-20-18(19)6-4-3-5-15-7-9-16(10-8-15)11-12-17-13-14-17/h7-10,17H,2-6,11-14H2,1H3.
What are the key properties of ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate?
ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate has a molecular weight of 274.40 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(2-cyclopropylethyl)phenyl]pentanoate is sourced from PubChem (CID 162013129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).