(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol

C14H17ClO3 — CID 106825045

IUPAC(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCCOC1CC2(C1)C[C@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C14H17ClO3/c1-2-17-10-6-14(7-10)8-12(16)11-5-9(15)3-4-13(11)18-14/h3-5,10,12,16H,2,6-8H2,1H3/t10?,12-,14?/m0/s1
InChIKeyMARDGEICIJBYQJ-KHJSKFAYSA-N
MW268.74 g/mol
LogP3.09
Rot. Bonds2

About (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol

(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (PubChem CID 106825045) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
PubChem CID106825045
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCCOC1CC2(C1)C[C@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C14H17ClO3/c1-2-17-10-6-14(7-10)8-12(16)11-5-9(15)3-4-13(11)18-14/h3-5,10,12,16H,2,6-8H2,1H3/t10?,12-,14?/m0/s1
InChIKeyMARDGEICIJBYQJ-KHJSKFAYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The IUPAC name of (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (CID 106825045) is (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.
What is the SMILES notation for (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The canonical SMILES for (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is CCOC1CC2(C1)C[C@H](O)c1cc(Cl)ccc1O2.
What is the InChIKey of (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The InChIKey is MARDGEICIJBYQJ-KHJSKFAYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-2-17-10-6-14(7-10)8-12(16)11-5-9(15)3-4-13(11)18-14/h3-5,10,12,16H,2,6-8H2,1H3/t10?,12-,14?/m0/s1.
What are the key properties of (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
(4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol has a molecular weight of 268.74 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is sourced from PubChem (CID 106825045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).