[cyclopropyl-(4-phenylphenyl)methyl] acetate

C18H18O2 — CID 540182

IUPAC[cyclopropyl-(4-phenylphenyl)methyl] acetate
SMILESCC(=O)OC(c1ccc(-c2ccccc2)cc1)C1CC1
InChIInChI=1S/C18H18O2/c1-13(19)20-18(17-11-12-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3
InChIKeyCZGDMFVRHFBHPI-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.37
Rot. Bonds4

About [cyclopropyl-(4-phenylphenyl)methyl] acetate

[cyclopropyl-(4-phenylphenyl)methyl] acetate (PubChem CID 540182) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [cyclopropyl-(4-phenylphenyl)methyl] acetate.

Molecular Properties

Compound Name[cyclopropyl-(4-phenylphenyl)methyl] acetate
PubChem CID540182
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[cyclopropyl-(4-phenylphenyl)methyl] acetate
SMILESCC(=O)OC(c1ccc(-c2ccccc2)cc1)C1CC1
InChIInChI=1S/C18H18O2/c1-13(19)20-18(17-11-12-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3
InChIKeyCZGDMFVRHFBHPI-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Dimethrin
CID 6265
Benzenemethanol, 4-methyl-, 1-acetate
CID 75187
p-Isopropylbenzyl acetate
CID 100990
1-Phenylpropyl butyrate
CID 61447
alpha,alpha-Dimethylbenzyl isobutyrate
CID 11830590
1-Phenylpropyl acetate
CID 101134
Benzenemethanol, 2,4-dimethyl-, 1-acetate
CID 94602
Bis(1-phenylethyl) ether
CID 62342

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl-(4-phenylphenyl)methyl] acetate?
The IUPAC name of [cyclopropyl-(4-phenylphenyl)methyl] acetate (CID 540182) is [cyclopropyl-(4-phenylphenyl)methyl] acetate.
What is the SMILES notation for [cyclopropyl-(4-phenylphenyl)methyl] acetate?
The canonical SMILES for [cyclopropyl-(4-phenylphenyl)methyl] acetate is CC(=O)OC(c1ccc(-c2ccccc2)cc1)C1CC1.
What is the InChIKey of [cyclopropyl-(4-phenylphenyl)methyl] acetate?
The InChIKey is CZGDMFVRHFBHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(19)20-18(17-11-12-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3.
What are the key properties of [cyclopropyl-(4-phenylphenyl)methyl] acetate?
[cyclopropyl-(4-phenylphenyl)methyl] acetate has a molecular weight of 266.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl-(4-phenylphenyl)methyl] acetate is sourced from PubChem (CID 540182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).