6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine

C16H15ClO2 — CID 61086135

IUPAC6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc(C(Cl)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15ClO2/c1-11-2-4-12(5-3-11)16(17)13-6-7-14-15(10-13)19-9-8-18-14/h2-7,10,16H,8-9H2,1H3
InChIKeyBUFGCCDHPKPMIX-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.09
Rot. Bonds2

About 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine

6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 61086135) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID61086135
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESCc1ccc(C(Cl)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15ClO2/c1-11-2-4-12(5-3-11)16(17)13-6-7-14-15(10-13)19-9-8-18-14/h2-7,10,16H,8-9H2,1H3
InChIKeyBUFGCCDHPKPMIX-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[chloro-(3,5-dimethylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429848
6-[1-chloro-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63433566
6-[chloro-(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61084137
7-[(3-bromo-4-methylphenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 81460256
6-[chloro-(2,3-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434057
7-[(2-bromo-5-methylphenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 81111855
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
6-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82799538
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
CID 61083741
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
6-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63434010

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 61086135) is 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine is Cc1ccc(C(Cl)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is BUFGCCDHPKPMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-2-4-12(5-3-11)16(17)13-6-7-14-15(10-13)19-9-8-18-14/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 274.75 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 61086135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).