1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol

C20H25ClO2 — CID 68519197

IUPAC1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol
SMILESCCc1cccc(-c2c(Cl)cccc2C(O)CCCCOC)c1
InChIInChI=1S/C20H25ClO2/c1-3-15-8-6-9-16(14-15)20-17(10-7-11-18(20)21)19(22)12-4-5-13-23-2/h6-11,14,19,22H,3-5,12-13H2,1-2H3
InChIKeyLVWQYFHXHODSQT-UHFFFAOYSA-N
MW332.87 g/mol
LogP5.42
Rot. Bonds8

About 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol

1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol (PubChem CID 68519197) has the molecular formula C20H25ClO2 and a molecular weight of 332.87 g/mol. Its IUPAC name is 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol
PubChem CID68519197
Molecular FormulaC20H25ClO2
Molecular Weight332.87 g/mol
Exact Mass332.15
IUPAC Name1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol
SMILESCCc1cccc(-c2c(Cl)cccc2C(O)CCCCOC)c1
InChIInChI=1S/C20H25ClO2/c1-3-15-8-6-9-16(14-15)20-17(10-7-11-18(20)21)19(22)12-4-5-13-23-2/h6-11,14,19,22H,3-5,12-13H2,1-2H3
InChIKeyLVWQYFHXHODSQT-UHFFFAOYSA-N
XLogP5.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.87
LogP ≤ 55.42
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol?
The IUPAC name of 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol (CID 68519197) is 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol.
What is the SMILES notation for 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol?
The canonical SMILES for 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol is CCc1cccc(-c2c(Cl)cccc2C(O)CCCCOC)c1.
What is the InChIKey of 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol?
The InChIKey is LVWQYFHXHODSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClO2/c1-3-15-8-6-9-16(14-15)20-17(10-7-11-18(20)21)19(22)12-4-5-13-23-2/h6-11,14,19,22H,3-5,12-13H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol?
1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol has a molecular weight of 332.87 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(3-ethylphenyl)phenyl]-5-methoxypentan-1-ol is sourced from PubChem (CID 68519197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).