(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol

C17H19BrO — CID 10881709

IUPAC(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol
SMILESCc1ccc([C@H](C)[C@@H](CO)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrO/c1-12-3-5-14(6-4-12)13(2)17(11-19)15-7-9-16(18)10-8-15/h3-10,13,17,19H,11H2,1-2H3/t13-,17+/m0/s1
InChIKeyOITAEMFBTLEYGU-SUMWQHHRSA-N
MW319.24 g/mol
LogP4.64
Rot. Bonds4

About (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol

(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol (PubChem CID 10881709) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol
PubChem CID10881709
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol
SMILESCc1ccc([C@H](C)[C@@H](CO)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrO/c1-12-3-5-14(6-4-12)13(2)17(11-19)15-7-9-16(18)10-8-15/h3-10,13,17,19H,11H2,1-2H3/t13-,17+/m0/s1
InChIKeyOITAEMFBTLEYGU-SUMWQHHRSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol?
The IUPAC name of (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol (CID 10881709) is (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol?
The canonical SMILES for (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol is Cc1ccc([C@H](C)[C@@H](CO)c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol?
The InChIKey is OITAEMFBTLEYGU-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H19BrO/c1-12-3-5-14(6-4-12)13(2)17(11-19)15-7-9-16(18)10-8-15/h3-10,13,17,19H,11H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol?
(2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol has a molecular weight of 319.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-bromophenyl)-3-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 10881709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).