(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol

C16H15Br2ClO2 — CID 104661288

IUPAC(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C16H15Br2ClO2/c1-2-8-21-14-7-6-10(9-13(14)18)16(20)11-4-3-5-12(17)15(11)19/h3-7,9,16,20H,2,8H2,1H3
InChIKeyRTAWMHQEDIAOCQ-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.74
Rot. Bonds5

About (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol

(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol (PubChem CID 104661288) has the molecular formula C16H15Br2ClO2 and a molecular weight of 434.56 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
PubChem CID104661288
Molecular FormulaC16H15Br2ClO2
Molecular Weight434.56 g/mol
Exact Mass431.91
IUPAC Name(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C16H15Br2ClO2/c1-2-8-21-14-7-6-10(9-13(14)18)16(20)11-4-3-5-12(17)15(11)19/h3-7,9,16,20H,2,8H2,1H3
InChIKeyRTAWMHQEDIAOCQ-UHFFFAOYSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
2-bromo-1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983638
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol (CID 104661288) is (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2cccc(Br)c2Cl)cc1Br.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
The InChIKey is RTAWMHQEDIAOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClO2/c1-2-8-21-14-7-6-10(9-13(14)18)16(20)11-4-3-5-12(17)15(11)19/h3-7,9,16,20H,2,8H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol has a molecular weight of 434.56 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol is sourced from PubChem (CID 104661288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).