6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol

C14H20O3 — CID 114715446

IUPAC6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(C)(C(C)C)O2
InChIInChI=1S/C14H20O3/c1-9(2)14(3)8-12(15)11-7-10(16-4)5-6-13(11)17-14/h5-7,9,12,15H,8H2,1-4H3
InChIKeyXNERZLGLHHWQQX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.93
Rot. Bonds2

About 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol

6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol (PubChem CID 114715446) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
PubChem CID114715446
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(C)(C(C)C)O2
InChIInChI=1S/C14H20O3/c1-9(2)14(3)8-12(15)11-7-10(16-4)5-6-13(11)17-14/h5-7,9,12,15H,8H2,1-4H3
InChIKeyXNERZLGLHHWQQX-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
(4R)-6-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104951004
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
(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
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950510
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778
6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 114715358

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol (CID 114715446) is 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol is COc1ccc2c(c1)C(O)CC(C)(C(C)C)O2.
What is the InChIKey of 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol?
The InChIKey is XNERZLGLHHWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(2)14(3)8-12(15)11-7-10(16-4)5-6-13(11)17-14/h5-7,9,12,15H,8H2,1-4H3.
What are the key properties of 6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol?
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol has a molecular weight of 236.31 g/mol, XLogP of 2.93, 2 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-propan-2-yl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 114715446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).