methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate

C18H26O3 — CID 83932635

IUPACmethyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCCCCOc1ccc(CCC2CC2C(=O)OC)cc1
InChIInChI=1S/C18H26O3/c1-3-4-5-12-21-16-10-7-14(8-11-16)6-9-15-13-17(15)18(19)20-2/h7-8,10-11,15,17H,3-6,9,12-13H2,1-2H3
InChIKeyUINDNVZXULIMJE-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.00
Rot. Bonds9

About methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83932635) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83932635
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Namemethyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCCCCOc1ccc(CCC2CC2C(=O)OC)cc1
InChIInChI=1S/C18H26O3/c1-3-4-5-12-21-16-10-7-14(8-11-16)6-9-15-13-17(15)18(19)20-2/h7-8,10-11,15,17H,3-6,9,12-13H2,1-2H3
InChIKeyUINDNVZXULIMJE-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.00
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

methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
methyl 3-(4-heptoxyphenyl)propanoate
CID 82646253
2-[2-(4-pentoxyphenyl)ethyl]oxirane
CID 83932604
methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
CID 83932388
1-nonoxy-4-propylbenzene
CID 118632119
1-hexoxy-4-pentylbenzene
CID 54277450
2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CID 22618800
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
4,4-dimethyl-1-(4-pentoxyphenyl)pentan-3-one
CID 82184881
(Z)-3-[2-(4-decoxyphenyl)ethyl]-4-hydroxypent-3-en-2-one
CID 10440250
2-(4-pentoxyphenyl)acetate
CID 7009494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate (CID 83932635) is methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate is CCCCCOc1ccc(CCC2CC2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is UINDNVZXULIMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-4-5-12-21-16-10-7-14(8-11-16)6-9-15-13-17(15)18(19)20-2/h7-8,10-11,15,17H,3-6,9,12-13H2,1-2H3.
What are the key properties of methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 290.40 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83932635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).