(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol

C16H16BrFO — CID 116542464

IUPAC(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C16H16BrFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-10-13(17)7-8-15(14)18/h3,5-10,16,19H,2,4H2,1H3
InChIKeyWRTTWAPZSPLQAV-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.62
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol

(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol (PubChem CID 116542464) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
PubChem CID116542464
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C16H16BrFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-10-13(17)7-8-15(14)18/h3,5-10,16,19H,2,4H2,1H3
InChIKeyWRTTWAPZSPLQAV-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-fluorophenyl)-(3-propylphenyl)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-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542467
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105113633
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol (CID 116542464) is (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2cc(Br)ccc2F)c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
The InChIKey is WRTTWAPZSPLQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-2-4-11-5-3-6-12(9-11)16(19)14-10-13(17)7-8-15(14)18/h3,5-10,16,19H,2,4H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol?
(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol has a molecular weight of 323.21 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116542464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).