(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol

C16H15BrClFO2 — CID 105399544

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C16H15BrClFO2/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9,16,20H,1-2H3
InChIKeyQBHDLRIXVGWZQW-UHFFFAOYSA-N
MW373.65 g/mol
LogP5.11
Rot. Bonds4

About (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 105399544) has the molecular formula C16H15BrClFO2 and a molecular weight of 373.65 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID105399544
Molecular FormulaC16H15BrClFO2
Molecular Weight373.65 g/mol
Exact Mass371.99
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C16H15BrClFO2/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9,16,20H,1-2H3
InChIKeyQBHDLRIXVGWZQW-UHFFFAOYSA-N
XLogP5.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)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

(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanol
CID 105399299
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol (CID 105399544) is (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is QBHDLRIXVGWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO2/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9,16,20H,1-2H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 373.65 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 105399544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).