methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate

C17H20O5 — CID 10040709

IUPACmethyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(OC)cc(OC)cc2c1
InChIInChI=1S/C17H20O5/c1-10(2)22-15-8-12(17(18)21-5)6-11-7-13(19-3)9-14(20-4)16(11)15/h6-10H,1-5H3
InChIKeyASAKKZJJKISNTA-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.43
Rot. Bonds5

About methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate

methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate (PubChem CID 10040709) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
PubChem CID10040709
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namemethyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(OC)cc(OC)cc2c1
InChIInChI=1S/C17H20O5/c1-10(2)22-15-8-12(17(18)21-5)6-11-7-13(19-3)9-14(20-4)16(11)15/h6-10H,1-5H3
InChIKeyASAKKZJJKISNTA-UHFFFAOYSA-N
XLogP3.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
CID 10467917
4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
methyl 2-methoxy-6-propan-2-yloxypyridine-4-carboxylate
CID 18466661
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 5-acetyloxy-4,6,7-trimethoxynaphthalene-2-carboxylate
CID 73013836
1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol
CID 10042284
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 4-hydroxy-3-(1-hydroxyethyl)-5-methoxybenzoate
CID 117325019
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
methyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate
CID 5306188

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate?
The IUPAC name of methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate (CID 10040709) is methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate is COC(=O)c1cc(OC(C)C)c2c(OC)cc(OC)cc2c1.
What is the InChIKey of methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate?
The InChIKey is ASAKKZJJKISNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-10(2)22-15-8-12(17(18)21-5)6-11-7-13(19-3)9-14(20-4)16(11)15/h6-10H,1-5H3.
What are the key properties of methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate?
methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate has a molecular weight of 304.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate is sourced from PubChem (CID 10040709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).