3-phenoxypropyl naphthalene-1-carboxylate

C20H18O3 — CID 71029614

IUPAC3-phenoxypropyl naphthalene-1-carboxylate
SMILESO=C(OCCCOc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H18O3/c21-20(19-13-6-9-16-8-4-5-12-18(16)19)23-15-7-14-22-17-10-2-1-3-11-17/h1-6,8-13H,7,14-15H2
InChIKeyUGUYXLBBYRLNLX-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.47
Rot. Bonds6

About 3-phenoxypropyl naphthalene-1-carboxylate

3-phenoxypropyl naphthalene-1-carboxylate (PubChem CID 71029614) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-phenoxypropyl naphthalene-1-carboxylate.

Molecular Properties

Compound Name3-phenoxypropyl naphthalene-1-carboxylate
PubChem CID71029614
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name3-phenoxypropyl naphthalene-1-carboxylate
SMILESO=C(OCCCOc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H18O3/c21-20(19-13-6-9-16-8-4-5-12-18(16)19)23-15-7-14-22-17-10-2-1-3-11-17/h1-6,8-13H,7,14-15H2
InChIKeyUGUYXLBBYRLNLX-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.47
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

sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
CID 174690004
1-naphthalen-1-yl-3-phenoxypropan-1-one
CID 62717239
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
bis(2-phenoxyethyl) benzene-1,2-dicarboxylate;bis(2-phenoxyethyl) benzene-1,3-dicarboxylate
CID 167602955
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
3-phenoxypropyl 5-bromo-2-fluorobenzoate
CID 55568169
ethane;(2-hydroxy-3-naphthalen-1-yloxypropyl) naphthalene-1-carboxylate;(2-hydroxy-3-phenoxypropyl) naphthalene-1-carboxylate;propane
CID 167639567
cyanomethyl naphthalene-1-carboxylate
CID 2477503
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
methyl 3-amino-2-(2-phenoxyethoxy)benzoate
CID 115935668
bromo naphthalene-1-carboxylate
CID 68796403
2-phenoxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 4650787

Frequently Asked Questions

What is the IUPAC name of 3-phenoxypropyl naphthalene-1-carboxylate?
The IUPAC name of 3-phenoxypropyl naphthalene-1-carboxylate (CID 71029614) is 3-phenoxypropyl naphthalene-1-carboxylate.
What is the SMILES notation for 3-phenoxypropyl naphthalene-1-carboxylate?
The canonical SMILES for 3-phenoxypropyl naphthalene-1-carboxylate is O=C(OCCCOc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 3-phenoxypropyl naphthalene-1-carboxylate?
The InChIKey is UGUYXLBBYRLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c21-20(19-13-6-9-16-8-4-5-12-18(16)19)23-15-7-14-22-17-10-2-1-3-11-17/h1-6,8-13H,7,14-15H2.
What are the key properties of 3-phenoxypropyl naphthalene-1-carboxylate?
3-phenoxypropyl naphthalene-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxypropyl naphthalene-1-carboxylate is sourced from PubChem (CID 71029614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).