[phenyl-(2-phenylcyclopropyl)methyl] acetate

C18H18O2 — CID 13252851

IUPAC[phenyl-(2-phenylcyclopropyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)C1CC1c1ccccc1
InChIInChI=1S/C18H18O2/c1-13(19)20-18(15-10-6-3-7-11-15)17-12-16(17)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3
InChIKeyYGKKJTPWFFMNKE-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds4

About [phenyl-(2-phenylcyclopropyl)methyl] acetate

[phenyl-(2-phenylcyclopropyl)methyl] acetate (PubChem CID 13252851) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [phenyl-(2-phenylcyclopropyl)methyl] acetate.

Molecular Properties

Compound Name[phenyl-(2-phenylcyclopropyl)methyl] acetate
PubChem CID13252851
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[phenyl-(2-phenylcyclopropyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)C1CC1c1ccccc1
InChIInChI=1S/C18H18O2/c1-13(19)20-18(15-10-6-3-7-11-15)17-12-16(17)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3
InChIKeyYGKKJTPWFFMNKE-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(R)-[(1R,2S)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 11879476
[(R)-[(1S,2R)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 6543196
[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate
CID 11807544
[cyclopropyl-(4-phenylphenyl)methyl] acetate
CID 540182
[(S)-[(1R,2S,3R)-5-(2-adamantylidene)-2,3-dihydroxycyclopentyl]-phenylmethyl] acetate
CID 102198240
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
benzhydryl acetate;hydrazine
CID 122610283
[(2-acetylcyclohexyl)-phenylmethyl] carbamate
CID 151696114

Frequently Asked Questions

What is the IUPAC name of [phenyl-(2-phenylcyclopropyl)methyl] acetate?
The IUPAC name of [phenyl-(2-phenylcyclopropyl)methyl] acetate (CID 13252851) is [phenyl-(2-phenylcyclopropyl)methyl] acetate.
What is the SMILES notation for [phenyl-(2-phenylcyclopropyl)methyl] acetate?
The canonical SMILES for [phenyl-(2-phenylcyclopropyl)methyl] acetate is CC(=O)OC(c1ccccc1)C1CC1c1ccccc1.
What is the InChIKey of [phenyl-(2-phenylcyclopropyl)methyl] acetate?
The InChIKey is YGKKJTPWFFMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(19)20-18(15-10-6-3-7-11-15)17-12-16(17)14-8-4-2-5-9-14/h2-11,16-18H,12H2,1H3.
What are the key properties of [phenyl-(2-phenylcyclopropyl)methyl] acetate?
[phenyl-(2-phenylcyclopropyl)methyl] acetate has a molecular weight of 266.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(2-phenylcyclopropyl)methyl] acetate is sourced from PubChem (CID 13252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).