2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane

C18H19ClO2 — CID 82767309

IUPAC2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane
SMILESCC1(C(c2ccccc2)c2ccccc2)OCC(CCl)O1
InChIInChI=1S/C18H19ClO2/c1-18(20-13-16(12-19)21-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyFKOWDLNCFNGMTD-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.19
Rot. Bonds4

About 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane

2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane (PubChem CID 82767309) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane
PubChem CID82767309
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane
SMILESCC1(C(c2ccccc2)c2ccccc2)OCC(CCl)O1
InChIInChI=1S/C18H19ClO2/c1-18(20-13-16(12-19)21-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKeyFKOWDLNCFNGMTD-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.19
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

2-benzyl-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 82778660
1-[4-(chloromethyl)-2-phenyl-1,3-dioxolan-2-yl]ethanone
CID 134318301
4-(chloromethyl)-2-[(2-fluorophenyl)methyl]-2-methyl-1,3-dioxolane
CID 114835289
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
CID 59444461
4-(chloromethyl)-2-ethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
CID 82026798
2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxolane
CID 19812557
2-(chloromethyl)oxirane;N,N'-dibenzylethane-1,2-diamine;ethane
CID 90707718
(2S,4S)-4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 932583
2-(5-bromofuran-2-yl)-4-(chloromethyl)-2-methyl-1,3-dioxolane
CID 104654257
(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 70588218
4-(chloromethyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 82775614

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane (CID 82767309) is 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane is CC1(C(c2ccccc2)c2ccccc2)OCC(CCl)O1.
What is the InChIKey of 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane?
The InChIKey is FKOWDLNCFNGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-18(20-13-16(12-19)21-18)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3.
What are the key properties of 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane?
2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane has a molecular weight of 302.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-4-(chloromethyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 82767309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).