4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol

C15H12BrFO2 — CID 175981158

IUPAC4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol
SMILESOC1(c2ccc(Br)c(F)c2)CCOc2ccccc21
InChIInChI=1S/C15H12BrFO2/c16-12-6-5-10(9-13(12)17)15(18)7-8-19-14-4-2-1-3-11(14)15/h1-6,9,18H,7-8H2
InChIKeyHNEHSPDGVPRCBW-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.61
Rot. Bonds1

About 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol

4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol (PubChem CID 175981158) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol
PubChem CID175981158
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol
SMILESOC1(c2ccc(Br)c(F)c2)CCOc2ccccc21
InChIInChI=1S/C15H12BrFO2/c16-12-6-5-10(9-13(12)17)15(18)7-8-19-14-4-2-1-3-11(14)15/h1-6,9,18H,7-8H2
InChIKeyHNEHSPDGVPRCBW-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol (CID 175981158) is 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol is OC1(c2ccc(Br)c(F)c2)CCOc2ccccc21.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol?
The InChIKey is HNEHSPDGVPRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-12-6-5-10(9-13(12)17)15(18)7-8-19-14-4-2-1-3-11(14)15/h1-6,9,18H,7-8H2.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol?
4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol has a molecular weight of 323.16 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 175981158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).