(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol

C16H16Br2O2 — CID 107947698

IUPAC(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C16H16Br2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-7-6-12(17)9-15(14)18/h3-10,16,19H,1-2H3
InChIKeyJOIUOKPANOUSME-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.08
Rot. Bonds4

About (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol

(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 107947698) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID107947698
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C16H16Br2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-7-6-12(17)9-15(14)18/h3-10,16,19H,1-2H3
InChIKeyJOIUOKPANOUSME-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(4-bromo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 115824010
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
1-bromo-4-[bromo-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63439428
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
1-bromo-4-[chloro-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63428597
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol (CID 107947698) is (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is JOIUOKPANOUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-10(2)20-13-5-3-4-11(8-13)16(19)14-7-6-12(17)9-15(14)18/h3-10,16,19H,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol?
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 400.11 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107947698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).