methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

C13H14O4 — CID 58379982

IUPACmethyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCOC(=O)[C@H]1C[C@@]12CCOc1ccc(O)cc12
InChIInChI=1S/C13H14O4/c1-16-12(15)10-7-13(10)4-5-17-11-3-2-8(14)6-9(11)13/h2-3,6,10,14H,4-5,7H2,1H3/t10-,13-/m1/s1
InChIKeyKXNNVRAQZIMQEP-ZWNOBZJWSA-N
MW234.25 g/mol
LogP1.61
Rot. Bonds1

About methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 58379982) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Namemethyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
PubChem CID58379982
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namemethyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCOC(=O)[C@H]1C[C@@]12CCOc1ccc(O)cc12
InChIInChI=1S/C13H14O4/c1-16-12(15)10-7-13(10)4-5-17-11-3-2-8(14)6-9(11)13/h2-3,6,10,14H,4-5,7H2,1H3/t10-,13-/m1/s1
InChIKeyKXNNVRAQZIMQEP-ZWNOBZJWSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379700
methyl (1'S,5R)-3-hydroxyspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-carboxylate
CID 143977595
(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128969666
ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 175855986
(1'R,4S)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 167430588
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
methyl (1'S,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
CID 58379866
7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105494118
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379899
methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127265809
methyl 7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463537

Frequently Asked Questions

What is the IUPAC name of methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (CID 58379982) is methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is COC(=O)[C@H]1C[C@@]12CCOc1ccc(O)cc12.
What is the InChIKey of methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is KXNNVRAQZIMQEP-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-12(15)10-7-13(10)4-5-17-11-3-2-8(14)6-9(11)13/h2-3,6,10,14H,4-5,7H2,1H3/t10-,13-/m1/s1.
What are the key properties of methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 58379982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).