(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol

C16H16Br2O2 — CID 107978570

IUPAC(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2O2/c1-10(2)20-15-6-4-3-5-14(15)16(19)11-7-12(17)9-13(18)8-11/h3-10,16,19H,1-2H3
InChIKeyVNMKFXVQUBVPLU-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.08
Rot. Bonds4

About (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol

(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol (PubChem CID 107978570) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
PubChem CID107978570
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br2O2/c1-10(2)20-15-6-4-3-5-14(15)16(19)11-7-12(17)9-13(18)8-11/h3-10,16,19H,1-2H3
InChIKeyVNMKFXVQUBVPLU-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

1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 107976659
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823780
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
(3-bromo-5-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107947431
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol (CID 107978570) is (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccccc1C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol?
The InChIKey is VNMKFXVQUBVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-10(2)20-15-6-4-3-5-14(15)16(19)11-7-12(17)9-13(18)8-11/h3-10,16,19H,1-2H3.
What are the key properties of (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol?
(3,5-dibromophenyl)-(2-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 (3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107978570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).