[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate

C19H24O3 — CID 14438423

IUPAC[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate
SMILESCCCCCC[C@@H](C)OC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C19H24O3/c1-3-4-5-6-7-14(2)22-19(21)17-9-8-16-13-18(20)11-10-15(16)12-17/h8-14,20H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyOORMKKNDWIKBLX-CQSZACIVSA-N
MW300.40 g/mol
LogP5.06
Rot. Bonds7

About [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate

[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate (PubChem CID 14438423) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate
PubChem CID14438423
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate
SMILESCCCCCC[C@@H](C)OC(=O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C19H24O3/c1-3-4-5-6-7-14(2)22-19(21)17-9-8-16-13-18(20)11-10-15(16)12-17/h8-14,20H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyOORMKKNDWIKBLX-CQSZACIVSA-N
XLogP5.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

didecan-2-yl benzene-1,4-dicarboxylate
CID 91724696
bis[(2R)-nonan-2-yl] benzene-1,3-dicarboxylate
CID 100928523
6-hexoxyhexan-2-yl 4-hydroxybenzoate
CID 160563411
[(2S)-octan-2-yl] 4-[4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 7154596
[(2S)-octan-2-yl] 4-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]benzoate
CID 102491977
octyl 6-hydroxynaphthalene-2-carboxylate
CID 54286697
[(2R)-octan-2-yl] 4-methylbenzoate
CID 15358408
[(2R)-octan-2-yl] 4-[(6-heptadecoxynaphthalen-2-yl)oxymethyl]benzoate
CID 14847695
[(2R)-octan-2-yl] 6-[4-(4-octoxyphenyl)benzoyl]oxynaphthalene-2-carboxylate
CID 101172480
[(2S)-heptan-2-yl] 4-[4-[4-[(2S)-heptan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 70011621
octan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 103999609
[(2R)-octan-2-yl] 4-[[4-[[4-[(2R)-octan-2-yl]oxycarbonylphenyl]methoxy]phenoxy]methyl]benzoate
CID 139602078

Frequently Asked Questions

What is the IUPAC name of [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate (CID 14438423) is [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate is CCCCCC[C@@H](C)OC(=O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is OORMKKNDWIKBLX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-4-5-6-7-14(2)22-19(21)17-9-8-16-13-18(20)11-10-15(16)12-17/h8-14,20H,3-7H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate?
[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 14438423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).