(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

C23H25ClO2 — CID 20605263

IUPAC(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESC/C(Cl)=C\C1C(C(=O)OCc2cccc(-c3ccccc3)c2C)C1(C)C
InChIInChI=1S/C23H25ClO2/c1-15(24)13-20-21(23(20,3)4)22(25)26-14-18-11-8-12-19(16(18)2)17-9-6-5-7-10-17/h5-13,20-21H,14H2,1-4H3/b15-13+
InChIKeyKIQIWZSDNMYCIJ-FYWRMAATSA-N
MW368.90 g/mol
LogP6.12
Rot. Bonds5

About (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 20605263) has the molecular formula C23H25ClO2 and a molecular weight of 368.90 g/mol. Its IUPAC name is (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID20605263
Molecular FormulaC23H25ClO2
Molecular Weight368.90 g/mol
Exact Mass368.15
IUPAC Name(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESC/C(Cl)=C\C1C(C(=O)OCc2cccc(-c3ccccc3)c2C)C1(C)C
InChIInChI=1S/C23H25ClO2/c1-15(24)13-20-21(23(20,3)4)22(25)26-14-18-11-8-12-19(16(18)2)17-9-6-5-7-10-17/h5-13,20-21H,14H2,1-4H3/b15-13+
InChIKeyKIQIWZSDNMYCIJ-FYWRMAATSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.90
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 20605263) is (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate is C/C(Cl)=C\C1C(C(=O)OCc2cccc(-c3ccccc3)c2C)C1(C)C.
What is the InChIKey of (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is KIQIWZSDNMYCIJ-FYWRMAATSA-N. The full InChI is InChI=1S/C23H25ClO2/c1-15(24)13-20-21(23(20,3)4)22(25)26-14-18-11-8-12-19(16(18)2)17-9-6-5-7-10-17/h5-13,20-21H,14H2,1-4H3/b15-13+.
What are the key properties of (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate?
(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 368.90 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 20605263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).