2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid

C15H18O4 — CID 172567319

IUPAC2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OC(=O)C1CCCCC1
InChIInChI=1S/C15H18O4/c16-14(17)10-12-8-4-5-9-13(12)19-15(18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyRSGBCUKQGYLOJD-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid

2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid (PubChem CID 172567319) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
PubChem CID172567319
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OC(=O)C1CCCCC1
InChIInChI=1S/C15H18O4/c16-14(17)10-12-8-4-5-9-13(12)19-15(18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)
InChIKeyRSGBCUKQGYLOJD-UHFFFAOYSA-N
XLogP2.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-oxo-2-propan-2-yloxyethyl)phenyl] cyclohexanecarboxylate
CID 177226617
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
hydron;phenyl cycloheptanecarboxylate
CID 174768034
ethane;[2-[2-[(E)-3-ethenylpent-3-en-2-yl]oxy-2-oxoethyl]phenyl] cyclohexanecarboxylate
CID 177226371
2-[[2-(cyclohexanecarbonyloxy)phenyl]methoxy]-1,1-difluoro-2-oxoethanesulfonate
CID 177295092
ethyl 2-(cyclohexanecarbonyloxy)benzoate
CID 151472911
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
(2-phenylphenyl) cyclopropanecarboxylate
CID 91695306
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
2-[2-(2-aminocyclohexyl)oxyphenyl]acetic acid
CID 117054327
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid (CID 172567319) is 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid is O=C(O)Cc1ccccc1OC(=O)C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid?
The InChIKey is RSGBCUKQGYLOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-14(17)10-12-8-4-5-9-13(12)19-15(18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17).
What are the key properties of 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid?
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid is sourced from PubChem (CID 172567319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).