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

C14H18O4 — CID 106825058

IUPAC(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CC(OC)C1)O2
InChIInChI=1S/C14H18O4/c1-16-9-3-4-13-11(5-9)12(15)8-14(18-13)6-10(7-14)17-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m0/s1
InChIKeyMQQGEYKBOFFYOS-KHJSKFAYSA-N
MW250.29 g/mol
LogP2.06
Rot. Bonds2

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

(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (PubChem CID 106825058) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.

Molecular Properties

Compound Name(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
PubChem CID106825058
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CC(OC)C1)O2
InChIInChI=1S/C14H18O4/c1-16-9-3-4-13-11(5-9)12(15)8-14(18-13)6-10(7-14)17-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m0/s1
InChIKeyMQQGEYKBOFFYOS-KHJSKFAYSA-N
XLogP2.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol with MolForge

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Related Compounds

(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 114715358
(4R)-6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950989
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446

Frequently Asked Questions

What is the IUPAC name of (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The IUPAC name of (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (CID 106825058) is (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.
What is the SMILES notation for (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The canonical SMILES for (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is COc1ccc2c(c1)[C@@H](O)CC1(CC(OC)C1)O2.
What is the InChIKey of (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The InChIKey is MQQGEYKBOFFYOS-KHJSKFAYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-9-3-4-13-11(5-9)12(15)8-14(18-13)6-10(7-14)17-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m0/s1.
What are the key properties of (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol has a molecular weight of 250.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is sourced from PubChem (CID 106825058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).