[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone

C16H15BrO3 — CID 86044790

IUPAC[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(OCCCBr)cc1
InChIInChI=1S/C16H15BrO3/c17-10-1-11-20-15-8-4-13(5-9-15)16(19)12-2-6-14(18)7-3-12/h2-9,18H,1,10-11H2
InChIKeyBEIOFPXESFMVGZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.79
Rot. Bonds6

About [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone

[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone (PubChem CID 86044790) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone
PubChem CID86044790
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(OCCCBr)cc1
InChIInChI=1S/C16H15BrO3/c17-10-1-11-20-15-8-4-13(5-9-15)16(19)12-2-6-14(18)7-3-12/h2-9,18H,1,10-11H2
InChIKeyBEIOFPXESFMVGZ-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-bromopropoxy)phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 53312176
4-(4-bromobutoxy)benzaldehyde;4-hydroxybenzaldehyde
CID 162220767
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
4-(3-bromopropoxy)-N-methylbenzamide
CID 82110408
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
1-bromo-4-chlorobutane;4-(4-chlorobutoxy)benzoic acid;methyl 4-hydroxybenzoate
CID 160879823
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
CID 46229706
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
CID 11365344
CID 11365344
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
4-[10-[10-(10-bromodecoxy)decoxy]decoxy]benzoic acid
CID 86092221

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone (CID 86044790) is [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ccc(OCCCBr)cc1.
What is the InChIKey of [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone?
The InChIKey is BEIOFPXESFMVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c17-10-1-11-20-15-8-4-13(5-9-15)16(19)12-2-6-14(18)7-3-12/h2-9,18H,1,10-11H2.
What are the key properties of [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone?
[4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromopropoxy)phenyl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 86044790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).