(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol

C15H14BrClO3 — CID 90827551

IUPAC(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol
SMILESCCOc1ccc(C(O)(O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H14BrClO3/c1-2-20-12-6-3-10(4-7-12)15(18,19)13-9-11(16)5-8-14(13)17/h3-9,18-19H,2H2,1H3
InChIKeyOSNXVWSGPIMUBS-UHFFFAOYSA-N
MW357.63 g/mol
LogP3.69
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol

(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol (PubChem CID 90827551) has the molecular formula C15H14BrClO3 and a molecular weight of 357.63 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol
PubChem CID90827551
Molecular FormulaC15H14BrClO3
Molecular Weight357.63 g/mol
Exact Mass355.98
IUPAC Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol
SMILESCCOc1ccc(C(O)(O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H14BrClO3/c1-2-20-12-6-3-10(4-7-12)15(18,19)13-9-11(16)5-8-14(13)17/h3-9,18-19H,2H2,1H3
InChIKeyOSNXVWSGPIMUBS-UHFFFAOYSA-N
XLogP3.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol 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

2-[4-chloro-3-[(4-ethoxyphenyl)-dihydroxymethyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 90877256
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
CID 63437055
4-bromo-1-chloro-2-[(1S)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl]benzene
CID 139085254
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-bromo-7-ethoxynaphthalene
CID 22240149
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
CID 3526024
4-tert-butyl-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methane
CID 161337018
1-(3-chlorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 62788302
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol (CID 90827551) is (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol is CCOc1ccc(C(O)(O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol?
The InChIKey is OSNXVWSGPIMUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3/c1-2-20-12-6-3-10(4-7-12)15(18,19)13-9-11(16)5-8-14(13)17/h3-9,18-19H,2H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol?
(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol has a molecular weight of 357.63 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanediol is sourced from PubChem (CID 90827551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).