(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol

C17H18BrClO — CID 115482586

IUPAC(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2ccc(Br)cc2Cl)cc1CC
InChIInChI=1S/C17H18BrClO/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10,17,20H,3-4H2,1-2H3
InChIKeyVSEMDGPURIQUGC-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.31
Rot. Bonds4

About (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol

(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol (PubChem CID 115482586) has the molecular formula C17H18BrClO and a molecular weight of 353.69 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
PubChem CID115482586
Molecular FormulaC17H18BrClO
Molecular Weight353.69 g/mol
Exact Mass352.02
IUPAC Name(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2ccc(Br)cc2Cl)cc1CC
InChIInChI=1S/C17H18BrClO/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10,17,20H,3-4H2,1-2H3
InChIKeyVSEMDGPURIQUGC-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

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Related Compounds

(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
(2-bromophenyl)-(3,4-diethylphenyl)methanol
CID 115482670
4-[bromo-(4-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319257
(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
CID 115482749
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(5-bromo-2-ethylphenyl)methanol
CID 134498429
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
CID 115482630
(3-bromo-4-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107991251
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol?
The IUPAC name of (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol (CID 115482586) is (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol is CCc1ccc(C(O)c2ccc(Br)cc2Cl)cc1CC.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol?
The InChIKey is VSEMDGPURIQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10,17,20H,3-4H2,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol?
(4-bromo-2-chlorophenyl)-(3,4-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 (4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol is sourced from PubChem (CID 115482586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).