(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol

C17H18BrClO — CID 107955643

IUPAC(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol
SMILESCCc1ccc(CC)c(C(O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C17H18BrClO/c1-3-11-5-6-12(4-2)16(7-11)17(20)13-8-14(18)10-15(19)9-13/h5-10,17,20H,3-4H2,1-2H3
InChIKeyBKEQWBDPRSCDMJ-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.31
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol

(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol (PubChem CID 107955643) has the molecular formula C17H18BrClO and a molecular weight of 353.69 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol
PubChem CID107955643
Molecular FormulaC17H18BrClO
Molecular Weight353.69 g/mol
Exact Mass352.02
IUPAC Name(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol
SMILESCCc1ccc(CC)c(C(O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C17H18BrClO/c1-3-11-5-6-12(4-2)16(7-11)17(20)13-8-14(18)10-15(19)9-13/h5-10,17,20H,3-4H2,1-2H3
InChIKeyBKEQWBDPRSCDMJ-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)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-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107991251
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684303
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(3,5-dibromophenyl)-(3-ethylphenyl)methanol
CID 107978572
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol
CID 134498429
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
CID 107958899

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol (CID 107955643) is (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol is CCc1ccc(CC)c(C(O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol?
The InChIKey is BKEQWBDPRSCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO/c1-3-11-5-6-12(4-2)16(7-11)17(20)13-8-14(18)10-15(19)9-13/h5-10,17,20H,3-4H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol?
(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol has a molecular weight of 353.69 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol is sourced from PubChem (CID 107955643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).