(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol

C18H18BrClO — CID 122634711

IUPAC(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol
SMILESC=CC[C@@H](O)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrClO/c1-2-3-18(21)17(14-6-8-15(19)9-7-14)12-13-4-10-16(20)11-5-13/h2,4-11,17-18,21H,1,3,12H2/t17?,18-/m1/s1
InChIKeyXKSOXPRARJGMOY-QRWMCTBCSA-N
MW365.70 g/mol
LogP5.37
Rot. Bonds6

About (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol

(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol (PubChem CID 122634711) has the molecular formula C18H18BrClO and a molecular weight of 365.70 g/mol. Its IUPAC name is (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol
PubChem CID122634711
Molecular FormulaC18H18BrClO
Molecular Weight365.70 g/mol
Exact Mass364.02
IUPAC Name(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol
SMILESC=CC[C@@H](O)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrClO/c1-2-3-18(21)17(14-6-8-15(19)9-7-14)12-13-4-10-16(20)11-5-13/h2,4-11,17-18,21H,1,3,12H2/t17?,18-/m1/s1
InChIKeyXKSOXPRARJGMOY-QRWMCTBCSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.70
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol?
The IUPAC name of (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol (CID 122634711) is (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol.
What is the SMILES notation for (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol?
The canonical SMILES for (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol is C=CC[C@@H](O)C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol?
The InChIKey is XKSOXPRARJGMOY-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H18BrClO/c1-2-3-18(21)17(14-6-8-15(19)9-7-14)12-13-4-10-16(20)11-5-13/h2,4-11,17-18,21H,1,3,12H2/t17?,18-/m1/s1.
What are the key properties of (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol?
(3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol has a molecular weight of 365.70 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-bromophenyl)-1-(4-chlorophenyl)hex-5-en-3-ol is sourced from PubChem (CID 122634711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).