1-(4-bromophenyl)-2-phenylpentan-2-ol

C17H19BrO — CID 60797698

IUPAC1-(4-bromophenyl)-2-phenylpentan-2-ol
SMILESCCCC(O)(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrO/c1-2-12-17(19,15-6-4-3-5-7-15)13-14-8-10-16(18)11-9-14/h3-11,19H,2,12-13H2,1H3
InChIKeyKPDJDKIWRUFTSQ-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.68
Rot. Bonds5

About 1-(4-bromophenyl)-2-phenylpentan-2-ol

1-(4-bromophenyl)-2-phenylpentan-2-ol (PubChem CID 60797698) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenylpentan-2-ol
PubChem CID60797698
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(4-bromophenyl)-2-phenylpentan-2-ol
SMILESCCCC(O)(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrO/c1-2-12-17(19,15-6-4-3-5-7-15)13-14-8-10-16(18)11-9-14/h3-11,19H,2,12-13H2,1H3
InChIKeyKPDJDKIWRUFTSQ-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
1,2-diphenylheptan-2-ol
CID 139785734
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
1-(1-methylpyrazol-4-yl)-2-phenylpentan-2-ol
CID 62127136
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
ethyl 3-(4-bromophenyl)-3-hydroxy-4-phenylbutanoate
CID 142629518
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-phenylpentane-2,2-diol
CID 56635388
1-(2-chloro-3-fluorophenyl)-2-phenylpentan-2-ol
CID 115983354
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-phenylpentan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-2-phenylpentan-2-ol (CID 60797698) is 1-(4-bromophenyl)-2-phenylpentan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenylpentan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-2-phenylpentan-2-ol is CCCC(O)(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenylpentan-2-ol?
The InChIKey is KPDJDKIWRUFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-2-12-17(19,15-6-4-3-5-7-15)13-14-8-10-16(18)11-9-14/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-phenylpentan-2-ol?
1-(4-bromophenyl)-2-phenylpentan-2-ol has a molecular weight of 319.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-phenylpentan-2-ol is sourced from PubChem (CID 60797698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).