1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol

C12H13BrO2 — CID 102650455

IUPAC1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
SMILESCC(O)(C1=CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrO2/c1-12(14,11-3-2-8-15-11)9-4-6-10(13)7-5-9/h3-7,14H,2,8H2,1H3
InChIKeyPMGOUUFHUXSZAY-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol

1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol (PubChem CID 102650455) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
PubChem CID102650455
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol
SMILESCC(O)(C1=CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrO2/c1-12(14,11-3-2-8-15-11)9-4-6-10(13)7-5-9/h3-7,14H,2,8H2,1H3
InChIKeyPMGOUUFHUXSZAY-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-1-(4-methoxyphenyl)ethanol
CID 102650458
1-(2,3-dihydrofuran-5-yl)-1-(3-methylphenyl)ethanol
CID 102650449
1-(3,4-dihydro-2H-pyran-6-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 102646424
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
1-cyclopropyl-1-(2,3-dihydrofuran-5-yl)ethanol
CID 102650463
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 55187137
1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802957
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842
1-(4-bromophenyl)-1-dimethylphosphanylethanol
CID 171643768
2-(2,3-dihydrofuran-5-yl)-4-(ethylamino)butan-2-ol
CID 102652326

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol (CID 102650455) is 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol is CC(O)(C1=CCCO1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
The InChIKey is PMGOUUFHUXSZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-12(14,11-3-2-8-15-11)9-4-6-10(13)7-5-9/h3-7,14H,2,8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol?
1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol has a molecular weight of 269.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanol is sourced from PubChem (CID 102650455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).