2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene

C19H23BrO — CID 90486421

IUPAC2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1OCc1cccc(Br)c1
InChIInChI=1S/C19H23BrO/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-12-15-7-5-8-16(20)11-15/h5-11,13-14H,12H2,1-4H3
InChIKeyPUEUTEXVWCKLIM-UHFFFAOYSA-N
MW347.30 g/mol
LogP6.27
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene

2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene (PubChem CID 90486421) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene
PubChem CID90486421
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1OCc1cccc(Br)c1
InChIInChI=1S/C19H23BrO/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-12-15-7-5-8-16(20)11-15/h5-11,13-14H,12H2,1-4H3
InChIKeyPUEUTEXVWCKLIM-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene (CID 90486421) is 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene?
The InChIKey is PUEUTEXVWCKLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-13(2)17-9-6-10-18(14(3)4)19(17)21-12-15-7-5-8-16(20)11-15/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene?
2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene has a molecular weight of 347.30 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 90486421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).