(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

C13H18O3 — CID 104949814

IUPAC(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOCCC1(C)C[C@H](O)c2ccccc2O1
InChIInChI=1S/C13H18O3/c1-13(7-8-15-2)9-11(14)10-5-3-4-6-12(10)16-13/h3-6,11,14H,7-9H2,1-2H3/t11-,13?/m0/s1
InChIKeyVWMZTISQJOBTBK-AMGKYWFPSA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds3

About (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 104949814) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID104949814
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOCCC1(C)C[C@H](O)c2ccccc2O1
InChIInChI=1S/C13H18O3/c1-13(7-8-15-2)9-11(14)10-5-3-4-6-12(10)16-13/h3-6,11,14H,7-9H2,1-2H3/t11-,13?/m0/s1
InChIKeyVWMZTISQJOBTBK-AMGKYWFPSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114714861
(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709077
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
(4R)-2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-ol
CID 104950386
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104948574
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (CID 104949814) is (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is COCCC1(C)C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is VWMZTISQJOBTBK-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(7-8-15-2)9-11(14)10-5-3-4-6-12(10)16-13/h3-6,11,14H,7-9H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 222.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104949814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).