1-chloropentane;2-(2-phenylphenyl)ethanol

C19H25ClO — CID 174777739

IUPAC1-chloropentane;2-(2-phenylphenyl)ethanol
SMILESCCCCCCl.OCCc1ccccc1-c1ccccc1
InChIInChI=1S/C14H14O.C5H11Cl/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-2-3-4-5-6/h1-9,15H,10-11H2;2-5H2,1H3
InChIKeyMDFYCLYNDLQTGQ-UHFFFAOYSA-N
MW304.86 g/mol
LogP5.30
Rot. Bonds6

About 1-chloropentane;2-(2-phenylphenyl)ethanol

1-chloropentane;2-(2-phenylphenyl)ethanol (PubChem CID 174777739) has the molecular formula C19H25ClO and a molecular weight of 304.86 g/mol. Its IUPAC name is 1-chloropentane;2-(2-phenylphenyl)ethanol.

Molecular Properties

Compound Name1-chloropentane;2-(2-phenylphenyl)ethanol
PubChem CID174777739
Molecular FormulaC19H25ClO
Molecular Weight304.86 g/mol
Exact Mass304.16
IUPAC Name1-chloropentane;2-(2-phenylphenyl)ethanol
SMILESCCCCCCl.OCCc1ccccc1-c1ccccc1
InChIInChI=1S/C14H14O.C5H11Cl/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-2-3-4-5-6/h1-9,15H,10-11H2;2-5H2,1H3
InChIKeyMDFYCLYNDLQTGQ-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
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methanesulfonic acid;2-(2-phenylphenyl)ethanol
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CID 57000067
1-propylazulene
CID 10397225
1-butyl-2-(4-methylphenyl)benzene
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2-(2-pentoxyphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-(2-phenylphenyl)ethanol?
The IUPAC name of 1-chloropentane;2-(2-phenylphenyl)ethanol (CID 174777739) is 1-chloropentane;2-(2-phenylphenyl)ethanol.
What is the SMILES notation for 1-chloropentane;2-(2-phenylphenyl)ethanol?
The canonical SMILES for 1-chloropentane;2-(2-phenylphenyl)ethanol is CCCCCCl.OCCc1ccccc1-c1ccccc1.
What is the InChIKey of 1-chloropentane;2-(2-phenylphenyl)ethanol?
The InChIKey is MDFYCLYNDLQTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C5H11Cl/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12;1-2-3-4-5-6/h1-9,15H,10-11H2;2-5H2,1H3.
What are the key properties of 1-chloropentane;2-(2-phenylphenyl)ethanol?
1-chloropentane;2-(2-phenylphenyl)ethanol has a molecular weight of 304.86 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-(2-phenylphenyl)ethanol is sourced from PubChem (CID 174777739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).