3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride

C20H19ClO — CID 57302576

IUPAC3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C=C(c2ccccc2)c2ccccc2)C1C(=O)Cl
InChIInChI=1S/C20H19ClO/c1-20(2)17(18(20)19(21)22)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17-18H,1-2H3
InChIKeyNWAFIYXHDDVUSM-UHFFFAOYSA-N
MW310.82 g/mol
LogP5.16
Rot. Bonds4

About 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride

3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (PubChem CID 57302576) has the molecular formula C20H19ClO and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
PubChem CID57302576
Molecular FormulaC20H19ClO
Molecular Weight310.82 g/mol
Exact Mass310.11
IUPAC Name3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C=C(c2ccccc2)c2ccccc2)C1C(=O)Cl
InChIInChI=1S/C20H19ClO/c1-20(2)17(18(20)19(21)22)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17-18H,1-2H3
InChIKeyNWAFIYXHDDVUSM-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.82
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde
CID 15357536
trans-(1S,3S)-3-[(Z)-2-bromo-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 101202884
3-[2-bromo-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 54563404
trans-ethyl (1R,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 12881554
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-phenylcyclopropane-1-carboxamide
CID 677691
(2-formylphenyl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 102428242
trans-(1R,3R)-3-[(E)-2-chloro-2-phenylsulfanylethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 22810822
cis-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 86736786
3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 11983901
3-(2,2-dichloroethenyl)-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-2,2-dimethylcyclopropane-1-carboxamide
CID 171981307
trans-(1S,3R)-2,2-dimethyl-3-prop-1-enylcyclopropane-1-carbonyl chloride;yttrium
CID 59107380
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,2-dimethylcyclopropane-1-carboxamide
CID 6542599

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride (CID 57302576) is 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride is CC1(C)C(C=C(c2ccccc2)c2ccccc2)C1C(=O)Cl.
What is the InChIKey of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
The InChIKey is NWAFIYXHDDVUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO/c1-20(2)17(18(20)19(21)22)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17-18H,1-2H3.
What are the key properties of 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride?
3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride has a molecular weight of 310.82 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 57302576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).