(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol

C14H20O3 — CID 104950510

IUPAC(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOC(C)C1(C)C[C@H](O)c2cc(C)ccc2O1
InChIInChI=1S/C14H20O3/c1-9-5-6-13-11(7-9)12(15)8-14(3,17-13)10(2)16-4/h5-7,10,12,15H,8H2,1-4H3/t10?,12-,14?/m0/s1
InChIKeyJUYQSYHOCPRUBC-KHJSKFAYSA-N
MW236.31 g/mol
LogP2.60
Rot. Bonds2

About (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol

(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 104950510) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID104950510
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOC(C)C1(C)C[C@H](O)c2cc(C)ccc2O1
InChIInChI=1S/C14H20O3/c1-9-5-6-13-11(7-9)12(15)8-14(3,17-13)10(2)16-4/h5-7,10,12,15H,8H2,1-4H3/t10?,12-,14?/m0/s1
InChIKeyJUYQSYHOCPRUBC-KHJSKFAYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-3'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825056
(4R)-2-ethyl-6-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104950454
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
6-bromo-2-butan-2-yl-2-methyl-3,4-dihydrochromen-4-ol
CID 114274978
4'-methoxy-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715070
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709383
(4S)-6-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950482
(4R)-3',3',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950467
(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950632

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol (CID 104950510) is (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol is COC(C)C1(C)C[C@H](O)c2cc(C)ccc2O1.
What is the InChIKey of (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is JUYQSYHOCPRUBC-KHJSKFAYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-5-6-13-11(7-9)12(15)8-14(3,17-13)10(2)16-4/h5-7,10,12,15H,8H2,1-4H3/t10?,12-,14?/m0/s1.
What are the key properties of (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol?
(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 236.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104950510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).