dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate

C18H20O5 — CID 21191991

IUPACdipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
SMILESCC(C)OC(=O)c1ccc2cc(O)c(C(=O)OC(C)C)cc2c1
InChIInChI=1S/C18H20O5/c1-10(2)22-17(20)13-6-5-12-9-16(19)15(8-14(12)7-13)18(21)23-11(3)4/h5-11,19H,1-4H3
InChIKeyMJKSOSMTRPQXES-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.68
Rot. Bonds4

About dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate

dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate (PubChem CID 21191991) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
PubChem CID21191991
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Namedipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
SMILESCC(C)OC(=O)c1ccc2cc(O)c(C(=O)OC(C)C)cc2c1
InChIInChI=1S/C18H20O5/c1-10(2)22-17(20)13-6-5-12-9-16(19)15(8-14(12)7-13)18(21)23-11(3)4/h5-11,19H,1-4H3
InChIKeyMJKSOSMTRPQXES-UHFFFAOYSA-N
XLogP3.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
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propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
CID 12008335
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
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CID 54602710
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CID 142863752

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate?
The IUPAC name of dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate (CID 21191991) is dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate?
The canonical SMILES for dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate is CC(C)OC(=O)c1ccc2cc(O)c(C(=O)OC(C)C)cc2c1.
What is the InChIKey of dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate?
The InChIKey is MJKSOSMTRPQXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-10(2)22-17(20)13-6-5-12-9-16(19)15(8-14(12)7-13)18(21)23-11(3)4/h5-11,19H,1-4H3.
What are the key properties of dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate?
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate has a molecular weight of 316.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate is sourced from PubChem (CID 21191991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).