1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol

C13H17BrO2 — CID 60798546

IUPAC1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)CC1CCCO1
InChIInChI=1S/C13H17BrO2/c14-11-5-3-10(4-6-11)8-12(15)9-13-2-1-7-16-13/h3-6,12-13,15H,1-2,7-9H2
InChIKeyWWJKRDNEFTVZQA-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol

1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol (PubChem CID 60798546) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
PubChem CID60798546
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)CC1CCCO1
InChIInChI=1S/C13H17BrO2/c14-11-5-3-10(4-6-11)8-12(15)9-13-2-1-7-16-13/h3-6,12-13,15H,1-2,7-9H2
InChIKeyWWJKRDNEFTVZQA-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
1-(4-bromophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-ol
CID 66055685
1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
CID 103547351
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol (CID 60798546) is 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol is OC(Cc1ccc(Br)cc1)CC1CCCO1.
What is the InChIKey of 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol?
The InChIKey is WWJKRDNEFTVZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c14-11-5-3-10(4-6-11)8-12(15)9-13-2-1-7-16-13/h3-6,12-13,15H,1-2,7-9H2.
What are the key properties of 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol?
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol has a molecular weight of 285.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol is sourced from PubChem (CID 60798546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).