4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol

C26H22ClNO2 — CID 56980555

IUPAC4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol
SMILESOC(C=CCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H22ClNO2/c27-22-13-8-19(9-14-22)4-3-7-26(29)21-11-16-24(17-12-21)30-18-23-15-10-20-5-1-2-6-25(20)28-23/h1-3,5-17,26,29H,4,18H2
InChIKeyRGQCWNFERTWATM-UHFFFAOYSA-N
MW415.92 g/mol
LogP6.30
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol

4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol (PubChem CID 56980555) has the molecular formula C26H22ClNO2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol
PubChem CID56980555
Molecular FormulaC26H22ClNO2
Molecular Weight415.92 g/mol
Exact Mass415.13
IUPAC Name4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol
SMILESOC(C=CCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H22ClNO2/c27-22-13-8-19(9-14-22)4-3-7-26(29)21-11-16-24(17-12-21)30-18-23-15-10-20-5-1-2-6-25(20)28-23/h1-3,5-17,26,29H,4,18H2
InChIKeyRGQCWNFERTWATM-UHFFFAOYSA-N
XLogP6.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-[3-(4-chlorophenyl)-3-pyrazol-1-ylprop-1-en-2-yl]phenoxy]methyl]quinoline
CID 123622267
3-[4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]propanoic acid
CID 19745868
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
O-[2-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 11793527
7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
CID 10092565
2-[[4-[(4-propylphenyl)methoxy]phenoxy]methyl]quinoline
CID 57057623
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
N-(2-amino-2-hydroxyethyl)-3-(4-chlorophenyl)-2-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enamide
CID 123738402

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol (CID 56980555) is 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol is OC(C=CCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol?
The InChIKey is RGQCWNFERTWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO2/c27-22-13-8-19(9-14-22)4-3-7-26(29)21-11-16-24(17-12-21)30-18-23-15-10-20-5-1-2-6-25(20)28-23/h1-3,5-17,26,29H,4,18H2.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol?
4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol has a molecular weight of 415.92 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]but-2-en-1-ol is sourced from PubChem (CID 56980555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).