ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate

C18H22O5 — CID 22128544

IUPACethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OCCCOC)c2cccc(OC)c2c1
InChIInChI=1S/C18H22O5/c1-4-22-18(19)13-11-15-14(7-5-8-16(15)21-3)17(12-13)23-10-6-9-20-2/h5,7-8,11-12H,4,6,9-10H2,1-3H3
InChIKeyXDYQYXSRPZRQOM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.44
Rot. Bonds8

About ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate

ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate (PubChem CID 22128544) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate
PubChem CID22128544
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Nameethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OCCCOC)c2cccc(OC)c2c1
InChIInChI=1S/C18H22O5/c1-4-22-18(19)13-11-15-14(7-5-8-16(15)21-3)17(12-13)23-10-6-9-20-2/h5,7-8,11-12H,4,6,9-10H2,1-3H3
InChIKeyXDYQYXSRPZRQOM-UHFFFAOYSA-N
XLogP3.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
ethyl 4-(3-methoxypropoxy)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 59494122
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
2-(2-methylphenoxy)ethyl 3,4,5-trimethoxybenzoate
CID 8013093
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CID 11402920
ethyl 2-hydroxy-7-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 54713240
ethyl 8-methoxy-9H-pyrido[2,3-b]indole-6-carboxylate
CID 135059817
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
6-methoxyhexyl 4-hexoxy-3-methoxybenzoate
CID 121336036

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate (CID 22128544) is ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate is CCOC(=O)c1cc(OCCCOC)c2cccc(OC)c2c1.
What is the InChIKey of ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate?
The InChIKey is XDYQYXSRPZRQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-4-22-18(19)13-11-15-14(7-5-8-16(15)21-3)17(12-13)23-10-6-9-20-2/h5,7-8,11-12H,4,6,9-10H2,1-3H3.
What are the key properties of ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate?
ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(3-methoxypropoxy)naphthalene-2-carboxylate is sourced from PubChem (CID 22128544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).