6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

C14H20O4 — CID 114715309

IUPAC6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOCCC1(C)CC(O)c2cc(OC)ccc2O1
InChIInChI=1S/C14H20O4/c1-14(6-7-16-2)9-12(15)11-8-10(17-3)4-5-13(11)18-14/h4-5,8,12,15H,6-7,9H2,1-3H3
InChIKeyOOSQBCCLEAYHQQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.31
Rot. Bonds4

About 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol

6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 114715309) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID114715309
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCOCCC1(C)CC(O)c2cc(OC)ccc2O1
InChIInChI=1S/C14H20O4/c1-14(6-7-16-2)9-12(15)11-8-10(17-3)4-5-13(11)18-14/h4-5,8,12,15H,6-7,9H2,1-3H3
InChIKeyOOSQBCCLEAYHQQ-UHFFFAOYSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(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
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
7-methoxy-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 114714275
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol (CID 114715309) is 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is COCCC1(C)CC(O)c2cc(OC)ccc2O1.
What is the InChIKey of 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is OOSQBCCLEAYHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(6-7-16-2)9-12(15)11-8-10(17-3)4-5-13(11)18-14/h4-5,8,12,15H,6-7,9H2,1-3H3.
What are the key properties of 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol?
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 252.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114715309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).