2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

C13H18O3 — CID 114714861

IUPAC2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOC(C)C1(C)CC(O)c2ccccc2O1
InChIInChI=1S/C13H18O3/c1-9(15-3)13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,9,11,14H,8H2,1-3H3
InChIKeyHZUJXQKHZVCSPW-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds2

About 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 114714861) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID114714861
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOC(C)C1(C)CC(O)c2ccccc2O1
InChIInChI=1S/C13H18O3/c1-9(15-3)13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,9,11,14H,8H2,1-3H3
InChIKeyHZUJXQKHZVCSPW-UHFFFAOYSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709383
(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950510
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912
2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 114714855

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (CID 114714861) is 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is COC(C)C1(C)CC(O)c2ccccc2O1.
What is the InChIKey of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is HZUJXQKHZVCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(15-3)13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,9,11,14H,8H2,1-3H3.
What are the key properties of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 222.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114714861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).