4-(4-bromophenoxy)butan-2-ol

C10H13BrO2 — CID 112686550

IUPAC4-(4-bromophenoxy)butan-2-ol
SMILESCC(O)CCOc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO2/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyIKXYTZNMXDWKNO-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.60
Rot. Bonds4

About 4-(4-bromophenoxy)butan-2-ol

4-(4-bromophenoxy)butan-2-ol (PubChem CID 112686550) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-(4-bromophenoxy)butan-2-ol.

Molecular Properties

Compound Name4-(4-bromophenoxy)butan-2-ol
PubChem CID112686550
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name4-(4-bromophenoxy)butan-2-ol
SMILESCC(O)CCOc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO2/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyIKXYTZNMXDWKNO-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[3-(bromomethyl)-4-methylpentoxy]benzene
CID 66043443
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
2-[2-(4-bromophenoxy)ethyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450187
4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
2-[2-(4-bromophenoxy)ethyl]-2-propan-2-ylpropane-1,3-diol
CID 79450916
1-(4-bromophenoxy)-4-methoxybutan-2-ol
CID 117236778
2-[2-(4-bromophenoxy)ethyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522937
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
CID 5262090
phenyl 4-(3-hydroxybutoxy)benzoate
CID 163536234

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)butan-2-ol?
The IUPAC name of 4-(4-bromophenoxy)butan-2-ol (CID 112686550) is 4-(4-bromophenoxy)butan-2-ol.
What is the SMILES notation for 4-(4-bromophenoxy)butan-2-ol?
The canonical SMILES for 4-(4-bromophenoxy)butan-2-ol is CC(O)CCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)butan-2-ol?
The InChIKey is IKXYTZNMXDWKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 4-(4-bromophenoxy)butan-2-ol?
4-(4-bromophenoxy)butan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)butan-2-ol is sourced from PubChem (CID 112686550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).