(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol

C14H18O3 — CID 104948836

IUPAC(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)OC(C)(C1CC1)C[C@@H]2O
InChIInChI=1S/C14H18O3/c1-14(9-3-4-9)8-12(15)11-6-5-10(16-2)7-13(11)17-14/h5-7,9,12,15H,3-4,8H2,1-2H3/t12-,14?/m0/s1
InChIKeyKXYXOZOKQSEEAN-NBFOIZRFSA-N
MW234.30 g/mol
LogP2.68
Rot. Bonds2

About (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol

(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 104948836) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID104948836
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)OC(C)(C1CC1)C[C@@H]2O
InChIInChI=1S/C14H18O3/c1-14(9-3-4-9)8-12(15)11-6-5-10(16-2)7-13(11)17-14/h5-7,9,12,15H,3-4,8H2,1-2H3/t12-,14?/m0/s1
InChIKeyKXYXOZOKQSEEAN-NBFOIZRFSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
(4R)-3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825043
(4S)-7-methoxy-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948842
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 106875058
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104948574
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
2'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714363
(4R)-3'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948654
7-methoxy-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 114714275
(4S)-1'-ethyl-7-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104948800

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol (CID 104948836) is (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol is COc1ccc2c(c1)OC(C)(C1CC1)C[C@@H]2O.
What is the InChIKey of (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is KXYXOZOKQSEEAN-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(9-3-4-9)8-12(15)11-6-5-10(16-2)7-13(11)17-14/h5-7,9,12,15H,3-4,8H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol?
(4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 234.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104948836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).