4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane

C19H21ClO — CID 114826999

IUPAC4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
SMILESCC1CC(C(Cl)c2ccc(Cc3ccccc3)cc2)CO1
InChIInChI=1S/C19H21ClO/c1-14-11-18(13-21-14)19(20)17-9-7-16(8-10-17)12-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13H2,1H3
InChIKeyVTUYTNAUZYLSNQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.98
Rot. Bonds4

About 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane

4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane (PubChem CID 114826999) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane.

Molecular Properties

Compound Name4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
PubChem CID114826999
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
SMILESCC1CC(C(Cl)c2ccc(Cc3ccccc3)cc2)CO1
InChIInChI=1S/C19H21ClO/c1-14-11-18(13-21-14)19(20)17-9-7-16(8-10-17)12-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13H2,1H3
InChIKeyVTUYTNAUZYLSNQ-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.98
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 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane?
The IUPAC name of 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane (CID 114826999) is 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane.
What is the SMILES notation for 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane?
The canonical SMILES for 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane is CC1CC(C(Cl)c2ccc(Cc3ccccc3)cc2)CO1.
What is the InChIKey of 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane?
The InChIKey is VTUYTNAUZYLSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-14-11-18(13-21-14)19(20)17-9-7-16(8-10-17)12-15-5-3-2-4-6-15/h2-10,14,18-19H,11-13H2,1H3.
What are the key properties of 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane?
4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane has a molecular weight of 300.83 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane is sourced from PubChem (CID 114826999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).