ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate

C18H26O3 — CID 142267765

IUPACethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CCCOCc2ccccc2)CCCC1
InChIInChI=1S/C18H26O3/c1-2-21-17(19)18(11-6-7-12-18)13-8-14-20-15-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15H2,1H3
InChIKeyYSNXZSZJTIPHFA-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.11
Rot. Bonds8

About ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate

ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate (PubChem CID 142267765) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
PubChem CID142267765
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Nameethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CCCOCc2ccccc2)CCCC1
InChIInChI=1S/C18H26O3/c1-2-21-17(19)18(11-6-7-12-18)13-8-14-20-15-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15H2,1H3
InChIKeyYSNXZSZJTIPHFA-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
CID 163454781
ethyl 1-[3-(4-phenylphenyl)propyl]cyclobutane-1-carboxylate
CID 159021181
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
4-ethoxycarbonyl-4-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 154035201
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
methyl 4-(3-phenylmethoxypropyl)bicyclo[2.2.2]octane-1-carboxylate
CID 162401197
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate (CID 142267765) is ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate is CCOC(=O)C1(CCCOCc2ccccc2)CCCC1.
What is the InChIKey of ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate?
The InChIKey is YSNXZSZJTIPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-2-21-17(19)18(11-6-7-12-18)13-8-14-20-15-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15H2,1H3.
What are the key properties of ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate?
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate has a molecular weight of 290.40 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 142267765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).