(2,5-dimethylphenyl) cyclopentanecarboxylate

C14H18O2 — CID 849152

IUPAC(2,5-dimethylphenyl) cyclopentanecarboxylate
SMILESCc1ccc(C)c(OC(=O)C2CCCC2)c1
InChIInChI=1S/C14H18O2/c1-10-7-8-11(2)13(9-10)16-14(15)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyWVDGEWOVLUQTQY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.40
Rot. Bonds2

About (2,5-dimethylphenyl) cyclopentanecarboxylate

(2,5-dimethylphenyl) cyclopentanecarboxylate (PubChem CID 849152) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2,5-dimethylphenyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(2,5-dimethylphenyl) cyclopentanecarboxylate
PubChem CID849152
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2,5-dimethylphenyl) cyclopentanecarboxylate
SMILESCc1ccc(C)c(OC(=O)C2CCCC2)c1
InChIInChI=1S/C14H18O2/c1-10-7-8-11(2)13(9-10)16-14(15)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyWVDGEWOVLUQTQY-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
CID 175156246
(2,5-dimethylphenyl) (3R)-1-propylsulfonylpiperidine-3-carboxylate
CID 124506427
[4-(cyclohexanecarbonyloxy)-3-methylphenyl] cyclohexanecarboxylate
CID 849296
[3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl] cyclohexanecarboxylate
CID 1187119
(4-chloro-2-methylphenyl) cyclobutanecarboxylate
CID 78768517
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
(2,5-dimethylphenyl) (3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057232
2-[2-(cyclohexanecarbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoropropane-1-sulfonic acid
CID 158104279
N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
CID 4945045
(2,4,5-trimethylphenyl) piperidine-4-carboxylate
CID 82118759
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
(2,5-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056899

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl) cyclopentanecarboxylate?
The IUPAC name of (2,5-dimethylphenyl) cyclopentanecarboxylate (CID 849152) is (2,5-dimethylphenyl) cyclopentanecarboxylate.
What is the SMILES notation for (2,5-dimethylphenyl) cyclopentanecarboxylate?
The canonical SMILES for (2,5-dimethylphenyl) cyclopentanecarboxylate is Cc1ccc(C)c(OC(=O)C2CCCC2)c1.
What is the InChIKey of (2,5-dimethylphenyl) cyclopentanecarboxylate?
The InChIKey is WVDGEWOVLUQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-7-8-11(2)13(9-10)16-14(15)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl) cyclopentanecarboxylate?
(2,5-dimethylphenyl) cyclopentanecarboxylate has a molecular weight of 218.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl) cyclopentanecarboxylate is sourced from PubChem (CID 849152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).