[3-bromo-4-(2-phenylethoxy)phenyl]methanol

C15H15BrO2 — CID 63050620

IUPAC[3-bromo-4-(2-phenylethoxy)phenyl]methanol
SMILESOCc1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H15BrO2/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2
InChIKeyOWZSFXGXKPZPOJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.56
Rot. Bonds5

About [3-bromo-4-(2-phenylethoxy)phenyl]methanol

[3-bromo-4-(2-phenylethoxy)phenyl]methanol (PubChem CID 63050620) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [3-bromo-4-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(2-phenylethoxy)phenyl]methanol
PubChem CID63050620
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[3-bromo-4-(2-phenylethoxy)phenyl]methanol
SMILESOCc1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C15H15BrO2/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2
InChIKeyOWZSFXGXKPZPOJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-bromo-4-(2-phenylethoxy)phenyl]methanol 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

[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
[3-bromo-4-(4-phenylbutoxy)phenyl]methanol
CID 114333931
[3-bromo-4-(2-phenylethoxy)phenyl]methanamine;hydrochloride
CID 139210923
[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
CID 55146760
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
[3-nitro-4-(2-phenylethoxy)phenyl]methanol
CID 29003909
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
4-[3-bromo-4-(2-phenylethoxy)benzoyl]oxybenzoic acid
CID 54854543
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272
3-bromo-N-[2-(N-[3-bromo-4-(2-phenylethoxy)benzoyl]anilino)ethyl]-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17073276

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(2-phenylethoxy)phenyl]methanol (CID 63050620) is [3-bromo-4-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(2-phenylethoxy)phenyl]methanol is OCc1ccc(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2-phenylethoxy)phenyl]methanol?
The InChIKey is OWZSFXGXKPZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-14-10-13(11-17)6-7-15(14)18-9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2.
What are the key properties of [3-bromo-4-(2-phenylethoxy)phenyl]methanol?
[3-bromo-4-(2-phenylethoxy)phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 63050620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).