(2-bromophenyl)-(3,4-diethylphenyl)methanol

C17H19BrO — CID 115482670

IUPAC(2-bromophenyl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2ccccc2Br)cc1CC
InChIInChI=1S/C17H19BrO/c1-3-12-9-10-14(11-13(12)4-2)17(19)15-7-5-6-8-16(15)18/h5-11,17,19H,3-4H2,1-2H3
InChIKeyGTAPYHSSKJGWNO-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.66
Rot. Bonds4

About (2-bromophenyl)-(3,4-diethylphenyl)methanol

(2-bromophenyl)-(3,4-diethylphenyl)methanol (PubChem CID 115482670) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is (2-bromophenyl)-(3,4-diethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromophenyl)-(3,4-diethylphenyl)methanol
PubChem CID115482670
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name(2-bromophenyl)-(3,4-diethylphenyl)methanol
SMILESCCc1ccc(C(O)c2ccccc2Br)cc1CC
InChIInChI=1S/C17H19BrO/c1-3-12-9-10-14(11-13(12)4-2)17(19)15-7-5-6-8-16(15)18/h5-11,17,19H,3-4H2,1-2H3
InChIKeyGTAPYHSSKJGWNO-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromophenyl)-(2-ethylphenyl)methanol
CID 91657587
(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
CID 115482749
(3,4-diethylphenyl)-(2-ethoxyphenyl)methanol
CID 115482646
(4-bromo-2-chlorophenyl)-(3,4-diethylphenyl)methanol
CID 115482586
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
CID 115482630
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
5-[(2-bromophenyl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 62300091
(2-bromophenyl)-[4-(dimethylamino)phenyl]methanol
CID 118122372
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
4-[bromo-(2-iodophenyl)methyl]-1,2-diethylbenzene
CID 115482992

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3,4-diethylphenyl)methanol?
The IUPAC name of (2-bromophenyl)-(3,4-diethylphenyl)methanol (CID 115482670) is (2-bromophenyl)-(3,4-diethylphenyl)methanol.
What is the SMILES notation for (2-bromophenyl)-(3,4-diethylphenyl)methanol?
The canonical SMILES for (2-bromophenyl)-(3,4-diethylphenyl)methanol is CCc1ccc(C(O)c2ccccc2Br)cc1CC.
What is the InChIKey of (2-bromophenyl)-(3,4-diethylphenyl)methanol?
The InChIKey is GTAPYHSSKJGWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-3-12-9-10-14(11-13(12)4-2)17(19)15-7-5-6-8-16(15)18/h5-11,17,19H,3-4H2,1-2H3.
What are the key properties of (2-bromophenyl)-(3,4-diethylphenyl)methanol?
(2-bromophenyl)-(3,4-diethylphenyl)methanol has a molecular weight of 319.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3,4-diethylphenyl)methanol is sourced from PubChem (CID 115482670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).