[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate

C15H18O2 — CID 599748

IUPAC[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C1(C)CCC=C1C
InChIInChI=1S/C15H18O2/c1-11-7-6-10-15(11,3)13-8-4-5-9-14(13)17-12(2)16/h4-5,7-9H,6,10H2,1-3H3
InChIKeyDEZXPCAUUBOORL-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.61
Rot. Bonds2

About [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate

[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate (PubChem CID 599748) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate
PubChem CID599748
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C1(C)CCC=C1C
InChIInChI=1S/C15H18O2/c1-11-7-6-10-15(11,3)13-8-4-5-9-14(13)17-12(2)16/h4-5,7-9H,6,10H2,1-3H3
InChIKeyDEZXPCAUUBOORL-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
CID 175827956
[2-(1-bromocyclohexyl)oxyphenyl] acetate
CID 13047619
[2-(2-chloro-2-oxoethyl)phenyl] acetate
CID 22613781
[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate
CID 67978627
[4-methyl-2-(2-methyloxiran-2-yl)phenyl] acetate
CID 12543275
triphenylen-1-yl acetate
CID 87276472
(2-trimethylsilylphenyl) acetate
CID 13101762
spiro[piperidine-4,9'-xanthene]-4'-yl acetate
CID 70579384
[2-[(1S,2R)-2-phenylcyclopropyl]phenyl] acetate
CID 100932606
(2-cyclobutylphenyl) acetate
CID 176943294
2,6-diacetyloxybenzoic acid
CID 10007406

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate?
The IUPAC name of [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate (CID 599748) is [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate.
What is the SMILES notation for [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate?
The canonical SMILES for [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate is CC(=O)Oc1ccccc1C1(C)CCC=C1C.
What is the InChIKey of [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate?
The InChIKey is DEZXPCAUUBOORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-7-6-10-15(11,3)13-8-4-5-9-14(13)17-12(2)16/h4-5,7-9H,6,10H2,1-3H3.
What are the key properties of [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate?
[2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate has a molecular weight of 230.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-dimethylcyclopent-2-en-1-yl)phenyl] acetate is sourced from PubChem (CID 599748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).