methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate

C15H16O5 — CID 67087010

IUPACmethyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OCC(O)CO)ccc2c1
InChIInChI=1S/C15H16O5/c1-19-15(18)12-3-2-11-7-14(5-4-10(11)6-12)20-9-13(17)8-16/h2-7,13,16-17H,8-9H2,1H3
InChIKeySVYBKFBDGYMUPL-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.36
Rot. Bonds5

About methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate

methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate (PubChem CID 67087010) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
PubChem CID67087010
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namemethyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(OCC(O)CO)ccc2c1
InChIInChI=1S/C15H16O5/c1-19-15(18)12-3-2-11-7-14(5-4-10(11)6-12)20-9-13(17)8-16/h2-7,13,16-17H,8-9H2,1H3
InChIKeySVYBKFBDGYMUPL-UHFFFAOYSA-N
XLogP1.36
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(2,3-dihydroxypropoxy)phenyl]benzoate
CID 89447868
methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate
CID 44521947
1-[4-(2,3-dihydroxypropoxy)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 139606541
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-[4-(2,3-dihydroxypropoxy)phenyl]-3-methoxypropan-1-one
CID 21117733
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
(4-methoxycarbonylphenyl) 6-heptoxynaphthalene-2-carboxylate
CID 90137749
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
methyl 4-(2,3-dihydroxypropylamino)-3-iodobenzoate
CID 168597515
[3-[8-[[2,7-bis[2-hydroxy-3-(4-methoxybenzoyl)oxypropoxy]naphthalen-1-yl]methyl]-7-[2-hydroxy-3-(4-methoxybenzoyl)oxypropoxy]naphthalen-2-yl]oxy-2-hydroxypropyl] 4-methoxybenzoate
CID 135177841
bis[4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]methanone
CID 86172123

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate?
The IUPAC name of methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate (CID 67087010) is methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate is COC(=O)c1ccc2cc(OCC(O)CO)ccc2c1.
What is the InChIKey of methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate?
The InChIKey is SVYBKFBDGYMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-19-15(18)12-3-2-11-7-14(5-4-10(11)6-12)20-9-13(17)8-16/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate?
methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate is sourced from PubChem (CID 67087010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).