5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol

C18H19Cl3O2 — CID 23315448

IUPAC5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol
SMILESCc1cc(Cl)ccc1OCCCC(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl3O2/c1-12-9-14(19)5-7-18(12)23-8-2-3-13(11-22)16-6-4-15(20)10-17(16)21/h4-7,9-10,13,22H,2-3,8,11H2,1H3
InChIKeyUNZIBJWFCIWNHB-UHFFFAOYSA-N
MW373.71 g/mol
LogP5.89
Rot. Bonds7

About 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol

5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol (PubChem CID 23315448) has the molecular formula C18H19Cl3O2 and a molecular weight of 373.71 g/mol. Its IUPAC name is 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol
PubChem CID23315448
Molecular FormulaC18H19Cl3O2
Molecular Weight373.71 g/mol
Exact Mass372.05
IUPAC Name5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol
SMILESCc1cc(Cl)ccc1OCCCC(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl3O2/c1-12-9-14(19)5-7-18(12)23-8-2-3-13(11-22)16-6-4-15(20)10-17(16)21/h4-7,9-10,13,22H,2-3,8,11H2,1H3
InChIKeyUNZIBJWFCIWNHB-UHFFFAOYSA-N
XLogP5.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.71
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-3-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol
CID 23315464
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036
4-chloro-1-(4-chloro-2-methylphenoxy)butan-2-ol
CID 13120346
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)propanoic acid
CID 67631738
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol?
The IUPAC name of 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol (CID 23315448) is 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol.
What is the SMILES notation for 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol?
The canonical SMILES for 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol is Cc1cc(Cl)ccc1OCCCC(CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol?
The InChIKey is UNZIBJWFCIWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3O2/c1-12-9-14(19)5-7-18(12)23-8-2-3-13(11-22)16-6-4-15(20)10-17(16)21/h4-7,9-10,13,22H,2-3,8,11H2,1H3.
What are the key properties of 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol?
5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol has a molecular weight of 373.71 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylphenoxy)-2-(2,4-dichlorophenyl)pentan-1-ol is sourced from PubChem (CID 23315448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).