3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate

C19H20O4 — CID 70637741

IUPAC3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate
SMILESO=C(OCCCOc1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C19H20O4/c20-19(15-10-11-15)22-13-5-12-21-17-8-4-9-18(14-17)23-16-6-2-1-3-7-16/h1-4,6-9,14-15H,5,10-13H2
InChIKeyNBRVZSMTVCAWGC-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.20
Rot. Bonds8

About 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate

3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate (PubChem CID 70637741) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate.

Molecular Properties

Compound Name3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate
PubChem CID70637741
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate
SMILESO=C(OCCCOc1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C19H20O4/c20-19(15-10-11-15)22-13-5-12-21-17-8-4-9-18(14-17)23-16-6-2-1-3-7-16/h1-4,6-9,14-15H,5,10-13H2
InChIKeyNBRVZSMTVCAWGC-UHFFFAOYSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
2-(3-phenoxyphenoxy)acetate
CID 22411603
1-cyclopropyl-6-phenoxyhexan-1-one
CID 64505245
ethyl 3-(4-phenoxyphenoxy)propyl carbonate
CID 10358376
[(2S)-2-[2-(3-phenoxyphenoxy)ethyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 175287660
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808
ethyl 3-hydroxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 118951537

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate?
The IUPAC name of 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate (CID 70637741) is 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate.
What is the SMILES notation for 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate?
The canonical SMILES for 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate is O=C(OCCCOc1cccc(Oc2ccccc2)c1)C1CC1.
What is the InChIKey of 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate?
The InChIKey is NBRVZSMTVCAWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c20-19(15-10-11-15)22-13-5-12-21-17-8-4-9-18(14-17)23-16-6-2-1-3-7-16/h1-4,6-9,14-15H,5,10-13H2.
What are the key properties of 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate?
3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate has a molecular weight of 312.37 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxyphenoxy)propyl cyclopropanecarboxylate is sourced from PubChem (CID 70637741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).