1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol

C19H23BrO — CID 114977568

IUPAC1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H23BrO/c1-3-14(2)19(16-7-5-4-6-8-16)18(21)13-15-9-11-17(20)12-10-15/h4-12,14,18-19,21H,3,13H2,1-2H3
InChIKeyYLAXTNWEYCAPKV-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.18
Rot. Bonds6

About 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol

1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol (PubChem CID 114977568) has the molecular formula C19H23BrO and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
PubChem CID114977568
Molecular FormulaC19H23BrO
Molecular Weight347.30 g/mol
Exact Mass346.09
IUPAC Name1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H23BrO/c1-3-14(2)19(16-7-5-4-6-8-16)18(21)13-15-9-11-17(20)12-10-15/h4-12,14,18-19,21H,3,13H2,1-2H3
InChIKeyYLAXTNWEYCAPKV-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59063206
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CID 129395857
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
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methane;[(2R)-2-methylbutyl]benzene;(1S,2R)-2-methyl-1-phenylbutan-1-ol
CID 167593098
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3-methyl-1-phenylhexan-2-ol
CID 63018482

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol (CID 114977568) is 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol is CCC(C)C(c1ccccc1)C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol?
The InChIKey is YLAXTNWEYCAPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrO/c1-3-14(2)19(16-7-5-4-6-8-16)18(21)13-15-9-11-17(20)12-10-15/h4-12,14,18-19,21H,3,13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol?
1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol has a molecular weight of 347.30 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol is sourced from PubChem (CID 114977568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).