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

C16H15Br2ClO2 — CID 107991347

IUPAC(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C16H15Br2ClO2/c1-2-7-21-15-6-4-11(9-13(15)18)16(20)10-3-5-14(19)12(17)8-10/h3-6,8-9,16,20H,2,7H2,1H3
InChIKeySJTIJKWBGONMNM-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.74
Rot. Bonds5

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

(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol (PubChem CID 107991347) has the molecular formula C16H15Br2ClO2 and a molecular weight of 434.56 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
PubChem CID107991347
Molecular FormulaC16H15Br2ClO2
Molecular Weight434.56 g/mol
Exact Mass431.91
IUPAC Name(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C16H15Br2ClO2/c1-2-7-21-15-6-4-11(9-13(15)18)16(20)10-3-5-14(19)12(17)8-10/h3-6,8-9,16,20H,2,7H2,1H3
InChIKeySJTIJKWBGONMNM-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)-(4-chlorophenyl)methanol
CID 104661171
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
(3-bromo-4-chlorophenyl)-(4-butan-2-ylphenyl)methanol
CID 107991127
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219
1-bromo-4-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2-methylbenzene
CID 104661898
2-bromo-4-[(4-bromo-2-chlorophenyl)-chloromethyl]-1-propoxybenzene
CID 104662005
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
CID 104657790

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol (CID 107991347) is (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)cc1Br.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
The InChIKey is SJTIJKWBGONMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClO2/c1-2-7-21-15-6-4-11(9-13(15)18)16(20)10-3-5-14(19)12(17)8-10/h3-6,8-9,16,20H,2,7H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol?
(3-bromo-4-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-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol is sourced from PubChem (CID 107991347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).