5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol

C11H13BrO2 — CID 101113077

IUPAC5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(ccc(O)c2Br)O1
InChIInChI=1S/C11H13BrO2/c1-11(2)6-5-7-9(14-11)4-3-8(13)10(7)12/h3-4,13H,5-6H2,1-2H3
InChIKeySRRJVJSAHBMDGV-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.26
Rot. Bonds

About 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol

5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol (PubChem CID 101113077) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
PubChem CID101113077
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
SMILESCC1(C)CCc2c(ccc(O)c2Br)O1
InChIInChI=1S/C11H13BrO2/c1-11(2)6-5-7-9(14-11)4-3-8(13)10(7)12/h3-4,13H,5-6H2,1-2H3
InChIKeySRRJVJSAHBMDGV-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2,2-dimethyl-4H-1,3-benzodioxin-6-ol
CID 45378288
1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)butan-1-one
CID 15587474
5-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-6-ol
CID 101113074
2-ethyl-2,5-dimethyl-3,4-dihydrochromen-6-ol
CID 45094813
4-(8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-3-yl)-5-methylbenzene-1,3-diol
CID 139568692
2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
CID 117097089
2,2-dimethyl-7-propyl-3,4-dihydrochromen-5-ol
CID 118325055
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol
CID 163026721
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
CID 20818420
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
CID 152894090
2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 71601900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol (CID 101113077) is 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol is CC1(C)CCc2c(ccc(O)c2Br)O1.
What is the InChIKey of 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol?
The InChIKey is SRRJVJSAHBMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-11(2)6-5-7-9(14-11)4-3-8(13)10(7)12/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol?
5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol has a molecular weight of 257.13 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 101113077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).