(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol

C14H18O4 — CID 106825043

IUPAC(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCOc1ccc2c(c1)OC1(CC(OC)C1)C[C@H]2O
InChIInChI=1S/C14H18O4/c1-16-9-3-4-11-12(15)8-14(18-13(11)5-9)6-10(7-14)17-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m1/s1
InChIKeyDGNQIEHLMWOMQP-KSGYAGIASA-N
MW250.29 g/mol
LogP2.06
Rot. Bonds2

About (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol

(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (PubChem CID 106825043) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.

Molecular Properties

Compound Name(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
PubChem CID106825043
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
SMILESCOc1ccc2c(c1)OC1(CC(OC)C1)C[C@H]2O
InChIInChI=1S/C14H18O4/c1-16-9-3-4-11-12(15)8-14(18-13(11)5-9)6-10(7-14)17-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m1/s1
InChIKeyDGNQIEHLMWOMQP-KSGYAGIASA-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 (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol with MolForge

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Related Compounds

(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948654
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
CID 104948836
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948786
(4R)-7-methoxy-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104948592
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820

Frequently Asked Questions

What is the IUPAC name of (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The IUPAC name of (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol (CID 106825043) is (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol.
What is the SMILES notation for (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The canonical SMILES for (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is COc1ccc2c(c1)OC1(CC(OC)C1)C[C@H]2O.
What is the InChIKey of (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
The InChIKey is DGNQIEHLMWOMQP-KSGYAGIASA-N. The full InChI is InChI=1S/C14H18O4/c1-16-9-3-4-11-12(15)8-14(18-13(11)5-9)6-10(7-14)17-2/h3-5,10,12,15H,6-8H2,1-2H3/t10?,12-,14?/m1/s1.
What are the key properties of (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol?
(4R)-3',7-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 (4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol is sourced from PubChem (CID 106825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).