(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol

C10H11BrO2 — CID 134205972

IUPAC(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOCc1ccc2c(c1Br)CCCO2
InChIInChI=1S/C10H11BrO2/c11-10-7(6-12)3-4-9-8(10)2-1-5-13-9/h3-4,12H,1-2,5-6H2
InChIKeyCYADBFOGAAHPSQ-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.27
Rot. Bonds1

About (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol

(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol (PubChem CID 134205972) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol
PubChem CID134205972
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOCc1ccc2c(c1Br)CCCO2
InChIInChI=1S/C10H11BrO2/c11-10-7(6-12)3-4-9-8(10)2-1-5-13-9/h3-4,12H,1-2,5-6H2
InChIKeyCYADBFOGAAHPSQ-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol?
The IUPAC name of (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol (CID 134205972) is (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol.
What is the SMILES notation for (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol?
The canonical SMILES for (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol is OCc1ccc2c(c1Br)CCCO2.
What is the InChIKey of (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol?
The InChIKey is CYADBFOGAAHPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-10-7(6-12)3-4-9-8(10)2-1-5-13-9/h3-4,12H,1-2,5-6H2.
What are the key properties of (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol?
(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol has a molecular weight of 243.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol is sourced from PubChem (CID 134205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).