8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol

C13H16O2 — CID 118028966

IUPAC8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol
SMILESCCc1ccc(O)c2c1COCC21CC1
InChIInChI=1S/C13H16O2/c1-2-9-3-4-11(14)12-10(9)7-15-8-13(12)5-6-13/h3-4,14H,2,5-8H2,1H3
InChIKeyQWIJEBZQXMXREC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.52
Rot. Bonds1

About 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol

8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol (PubChem CID 118028966) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol.

Molecular Properties

Compound Name8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol
PubChem CID118028966
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol
SMILESCCc1ccc(O)c2c1COCC21CC1
InChIInChI=1S/C13H16O2/c1-2-9-3-4-11(14)12-10(9)7-15-8-13(12)5-6-13/h3-4,14H,2,5-8H2,1H3
InChIKeyQWIJEBZQXMXREC-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenanthrenol, 4b,5,6,7,8,8a-hexahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
CID 484443
Phenol, 4-(1,1-dimethylethyl)-2,3-dimethyl-
CID 109705
Phenol, bis(1,1-dimethylethyl)-4-methyl-
CID 3034427
1-Phenyl-6,7-dihydroxy-isochroman
CID 131750844
Effususol A
CID 122232270
3-(hydroxymethyl)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-isochromen-6-ol
CID 141433836
Nootkastatin 1
CID 11415828
(4bS,8aS,10R)-10-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
CID 21585571
Pseudoanguillosporin A
CID 42605288
(3R,4S)-3,4,5-Trimethylisochromane-6,8-diol
CID 56681859
(4bS,8aS,10R)-10-ethoxy-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
CID 484435
(4bS,8aS)-1-isopropyl-10-methoxy-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthren-2-ol
CID 484441

Frequently Asked Questions

What is the IUPAC name of 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol?
The IUPAC name of 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol (CID 118028966) is 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol.
What is the SMILES notation for 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol?
The canonical SMILES for 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol is CCc1ccc(O)c2c1COCC21CC1.
What is the InChIKey of 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol?
The InChIKey is QWIJEBZQXMXREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-9-3-4-11(14)12-10(9)7-15-8-13(12)5-6-13/h3-4,14H,2,5-8H2,1H3.
What are the key properties of 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol?
8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol has a molecular weight of 204.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylspiro[1,3-dihydroisochromene-4,1'-cyclopropane]-5-ol is sourced from PubChem (CID 118028966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).