5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol

C17H15Cl3O — CID 54506353

IUPAC5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol
SMILESOCC(CC=Cc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3O/c18-14-8-9-15(17(20)10-14)13(11-21)6-3-5-12-4-1-2-7-16(12)19/h1-5,7-10,13,21H,6,11H2
InChIKeyYFZFAXPGOQTDOZ-UHFFFAOYSA-N
MW341.67 g/mol
LogP5.83
Rot. Bonds5

About 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol

5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol (PubChem CID 54506353) has the molecular formula C17H15Cl3O and a molecular weight of 341.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol
PubChem CID54506353
Molecular FormulaC17H15Cl3O
Molecular Weight341.67 g/mol
Exact Mass340.02
IUPAC Name5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol
SMILESOCC(CC=Cc1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3O/c18-14-8-9-15(17(20)10-14)13(11-21)6-3-5-12-4-1-2-7-16(12)19/h1-5,7-10,13,21H,6,11H2
InChIKeyYFZFAXPGOQTDOZ-UHFFFAOYSA-N
XLogP5.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.67
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis(2-chlorophenyl)pent-4-en-1-ol;methanesulfonic acid
CID 173462269
3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863
(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol
CID 70228601
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
CID 141179142
2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
1-[(Z)-but-1-enyl]-2,4-dichlorobenzene
CID 67080245
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol?
The IUPAC name of 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol (CID 54506353) is 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol?
The canonical SMILES for 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol is OCC(CC=Cc1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol?
The InChIKey is YFZFAXPGOQTDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3O/c18-14-8-9-15(17(20)10-14)13(11-21)6-3-5-12-4-1-2-7-16(12)19/h1-5,7-10,13,21H,6,11H2.
What are the key properties of 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol?
5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol has a molecular weight of 341.67 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol is sourced from PubChem (CID 54506353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).