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

C15H22O3 — CID 114715296

IUPAC6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(C)(CC(C)C)O2
InChIInChI=1S/C15H22O3/c1-10(2)8-15(3)9-13(16)12-7-11(17-4)5-6-14(12)18-15/h5-7,10,13,16H,8-9H2,1-4H3
InChIKeyGAKDZEBZZSRZLZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.32
Rot. Bonds3

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

6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol (PubChem CID 114715296) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
PubChem CID114715296
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(C)(CC(C)C)O2
InChIInChI=1S/C15H22O3/c1-10(2)8-15(3)9-13(16)12-7-11(17-4)5-6-14(12)18-15/h5-7,10,13,16H,8-9H2,1-4H3
InChIKeyGAKDZEBZZSRZLZ-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104948574
(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 104980348
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
2-butyl-2-ethyl-6-methoxy-3,4-dihydrochromen-4-ol
CID 114715453
(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
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol (CID 114715296) is 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol is COc1ccc2c(c1)C(O)CC(C)(CC(C)C)O2.
What is the InChIKey of 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol?
The InChIKey is GAKDZEBZZSRZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)8-15(3)9-13(16)12-7-11(17-4)5-6-14(12)18-15/h5-7,10,13,16H,8-9H2,1-4H3.
What are the key properties of 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol?
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol has a molecular weight of 250.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114715296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).