2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran

C18H15ClO — CID 63429545

IUPAC2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran
SMILESCc1ccc(C(Cl)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C18H15ClO/c1-13-7-12-17(20-13)18(19)16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-12,18H,1H3
InChIKeyVDTZYBWTJULSQO-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.58
Rot. Bonds3

About 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran

2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran (PubChem CID 63429545) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran
PubChem CID63429545
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran
SMILESCc1ccc(C(Cl)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C18H15ClO/c1-13-7-12-17(20-13)18(19)16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-12,18H,1H3
InChIKeyVDTZYBWTJULSQO-UHFFFAOYSA-N
XLogP5.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran?
The IUPAC name of 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran (CID 63429545) is 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran?
The canonical SMILES for 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran is Cc1ccc(C(Cl)c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran?
The InChIKey is VDTZYBWTJULSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c1-13-7-12-17(20-13)18(19)16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-12,18H,1H3.
What are the key properties of 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran?
2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran has a molecular weight of 282.77 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran is sourced from PubChem (CID 63429545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).