2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol

C17H19BrO — CID 66059776

IUPAC2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrO/c1-2-17(13-19,15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)18/h3-11,19H,2,12-13H2,1H3
InChIKeyHOFHZNDCBVPERK-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.33
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol

2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol (PubChem CID 66059776) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
PubChem CID66059776
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
SMILESCCC(CO)(Cc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrO/c1-2-17(13-19,15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)18/h3-11,19H,2,12-13H2,1H3
InChIKeyHOFHZNDCBVPERK-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol (CID 66059776) is 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol is CCC(CO)(Cc1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol?
The InChIKey is HOFHZNDCBVPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-2-17(13-19,15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)18/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol?
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol has a molecular weight of 319.24 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 66059776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).