(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol

C10H11BrO2 — CID 107287207

IUPAC(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(Br)c2c1OCC[C@@H]2O
InChIInChI=1S/C10H11BrO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8,12H,4-5H2,1H3/t8-/m0/s1
InChIKeyHEFXRLFLYCHYKT-QMMMGPOBSA-N
MW243.10 g/mol
LogP2.57
Rot. Bonds

About (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol

(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 107287207) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID107287207
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc(Br)c2c1OCC[C@@H]2O
InChIInChI=1S/C10H11BrO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8,12H,4-5H2,1H3/t8-/m0/s1
InChIKeyHEFXRLFLYCHYKT-QMMMGPOBSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol (CID 107287207) is (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc(Br)c2c1OCC[C@@H]2O.
What is the InChIKey of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HEFXRLFLYCHYKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8,12H,4-5H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 243.10 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 107287207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).