methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate

C17H18O5 — CID 10924646

IUPACmethyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate
SMILESC=CCOc1cc(C(=O)OC)c(OC)c2c(OC)cccc12
InChIInChI=1S/C17H18O5/c1-5-9-22-14-10-12(17(18)21-4)16(20-3)15-11(14)7-6-8-13(15)19-2/h5-8,10H,1,9H2,2-4H3
InChIKeyPHCFRXWYQPSPOR-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.21
Rot. Bonds6

About methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate

methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate (PubChem CID 10924646) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate
PubChem CID10924646
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Namemethyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate
SMILESC=CCOc1cc(C(=O)OC)c(OC)c2c(OC)cccc12
InChIInChI=1S/C17H18O5/c1-5-9-22-14-10-12(17(18)21-4)16(20-3)15-11(14)7-6-8-13(15)19-2/h5-8,10H,1,9H2,2-4H3
InChIKeyPHCFRXWYQPSPOR-UHFFFAOYSA-N
XLogP3.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
3-methoxycarbonyl-4-prop-2-enoxybenzoic acid
CID 71429807
methyl 4-amino-5-chloro-2-prop-2-enoxybenzoate
CID 14883224
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 5-iodo-2-methyl-4-prop-2-enoxybenzoate
CID 102014904
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate (CID 10924646) is methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate is C=CCOc1cc(C(=O)OC)c(OC)c2c(OC)cccc12.
What is the InChIKey of methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate?
The InChIKey is PHCFRXWYQPSPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-5-9-22-14-10-12(17(18)21-4)16(20-3)15-11(14)7-6-8-13(15)19-2/h5-8,10H,1,9H2,2-4H3.
What are the key properties of methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate?
methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,8-dimethoxy-4-prop-2-enoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10924646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).