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

C14H18O3 — CID 106825056

IUPAC(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCOC1CC2(C1)C[C@H](O)c1cc(C)ccc1O2
InChIInChI=1S/C14H18O3/c1-9-3-4-13-11(5-9)12(15)8-14(17-13)6-10(7-14)16-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m0/s1
InChIKeyQHKACUBEWWZLNV-KHJSKFAYSA-N
MW234.30 g/mol
LogP2.36
Rot. Bonds1

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

(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (PubChem CID 106825056) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.

Molecular Properties

Compound Name(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
PubChem CID106825056
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCOC1CC2(C1)C[C@H](O)c1cc(C)ccc1O2
InChIInChI=1S/C14H18O3/c1-9-3-4-13-11(5-9)12(15)8-14(17-13)6-10(7-14)16-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m0/s1
InChIKeyQHKACUBEWWZLNV-KHJSKFAYSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The IUPAC name of (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (CID 106825056) is (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.
What is the SMILES notation for (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The canonical SMILES for (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is COC1CC2(C1)C[C@H](O)c1cc(C)ccc1O2.
What is the InChIKey of (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The InChIKey is QHKACUBEWWZLNV-KHJSKFAYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-3-4-13-11(5-9)12(15)8-14(17-13)6-10(7-14)16-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m0/s1.
What are the key properties of (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol has a molecular weight of 234.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is sourced from PubChem (CID 106825056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).