8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol

C16H23BrO2 — CID 73051100

IUPAC8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
SMILESCC(C)CCCC1(C)CCc2cc(O)cc(Br)c2O1
InChIInChI=1S/C16H23BrO2/c1-11(2)5-4-7-16(3)8-6-12-9-13(18)10-14(17)15(12)19-16/h9-11,18H,4-8H2,1-3H3
InChIKeyMILZRWBBSBNLAT-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.06
Rot. Bonds4

About 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol

8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol (PubChem CID 73051100) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
PubChem CID73051100
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol
SMILESCC(C)CCCC1(C)CCc2cc(O)cc(Br)c2O1
InChIInChI=1S/C16H23BrO2/c1-11(2)5-4-7-16(3)8-6-12-9-13(18)10-14(17)15(12)19-16/h9-11,18H,4-8H2,1-3H3
InChIKeyMILZRWBBSBNLAT-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
The IUPAC name of 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol (CID 73051100) is 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
The canonical SMILES for 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol is CC(C)CCCC1(C)CCc2cc(O)cc(Br)c2O1.
What is the InChIKey of 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
The InChIKey is MILZRWBBSBNLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-11(2)5-4-7-16(3)8-6-12-9-13(18)10-14(17)15(12)19-16/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol?
8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol has a molecular weight of 327.26 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 73051100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).