2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol

C12H17BrO — CID 105425131

IUPAC2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(C)CO)cc1Br
InChIInChI=1S/C12H17BrO/c1-8(2)11-5-4-10(6-12(11)13)9(3)7-14/h4-6,8-9,14H,7H2,1-3H3
InChIKeyWFMWQKGYGMODQZ-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol

2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol (PubChem CID 105425131) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
PubChem CID105425131
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(C(C)CO)cc1Br
InChIInChI=1S/C12H17BrO/c1-8(2)11-5-4-10(6-12(11)13)9(3)7-14/h4-6,8-9,14H,7H2,1-3H3
InChIKeyWFMWQKGYGMODQZ-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
ethyl 2-(3-bromo-4-propan-2-ylphenyl)-2-hydroxyacetate
CID 117485139
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772
2-[3-bromo-4-(thiolan-3-yl)phenyl]propan-1-ol
CID 117485319
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol (CID 105425131) is 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(C(C)CO)cc1Br.
What is the InChIKey of 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol?
The InChIKey is WFMWQKGYGMODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-8(2)11-5-4-10(6-12(11)13)9(3)7-14/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol?
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 105425131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).