7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol

C12H16O3 — CID 10176661

IUPAC7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCOc1cc2c(cc1O)CCC(C)(C)O2
InChIInChI=1S/C12H16O3/c1-12(2)5-4-8-6-9(13)11(14-3)7-10(8)15-12/h6-7,13H,4-5H2,1-3H3
InChIKeyJXPHIHWXMBYJAU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.50
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol

7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 10176661) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID10176661
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCOc1cc2c(cc1O)CCC(C)(C)O2
InChIInChI=1S/C12H16O3/c1-12(2)5-4-8-6-9(13)11(14-3)7-10(8)15-12/h6-7,13H,4-5H2,1-3H3
InChIKeyJXPHIHWXMBYJAU-UHFFFAOYSA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
CID 89221071
6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
CID 20818420
4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine
CID 71597224
(5aR,9aR)-3-methoxy-5a-methyl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 10376736
(2S)-2-[[2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 162674033
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
CID 68879023
CID 68879023
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71753734
(3,4,5-trimethoxyphenyl)methyl 2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 68802601
4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol
CID 132603682
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol (CID 10176661) is 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol is COc1cc2c(cc1O)CCC(C)(C)O2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is JXPHIHWXMBYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2)5-4-8-6-9(13)11(14-3)7-10(8)15-12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol?
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 208.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 10176661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).