(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol

C20H19ClO — CID 12038442

IUPAC(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol
SMILESC=C=C(C)C/C=C(\c1ccccc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClO/c1-3-15(2)9-14-19(16-7-5-4-6-8-16)20(22)17-10-12-18(21)13-11-17/h4-8,10-14,20,22H,1,9H2,2H3/b19-14+
InChIKeyQADKUMCHHRNGCJ-XMHGGMMESA-N
MW310.82 g/mol
LogP5.58
Rot. Bonds5

About (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol

(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol (PubChem CID 12038442) has the molecular formula C20H19ClO and a molecular weight of 310.82 g/mol. Its IUPAC name is (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol.

Molecular Properties

Compound Name(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol
PubChem CID12038442
Molecular FormulaC20H19ClO
Molecular Weight310.82 g/mol
Exact Mass310.11
IUPAC Name(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol
SMILESC=C=C(C)C/C=C(\c1ccccc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClO/c1-3-15(2)9-14-19(16-7-5-4-6-8-16)20(22)17-10-12-18(21)13-11-17/h4-8,10-14,20,22H,1,9H2,2H3/b19-14+
InChIKeyQADKUMCHHRNGCJ-XMHGGMMESA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.82
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol?
The IUPAC name of (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol (CID 12038442) is (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol.
What is the SMILES notation for (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol?
The canonical SMILES for (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol is C=C=C(C)C/C=C(\c1ccccc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol?
The InChIKey is QADKUMCHHRNGCJ-XMHGGMMESA-N. The full InChI is InChI=1S/C20H19ClO/c1-3-15(2)9-14-19(16-7-5-4-6-8-16)20(22)17-10-12-18(21)13-11-17/h4-8,10-14,20,22H,1,9H2,2H3/b19-14+.
What are the key properties of (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol?
(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol has a molecular weight of 310.82 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol is sourced from PubChem (CID 12038442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).