2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid

C14H18O3 — CID 21199294

IUPAC2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C14H18O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h6-8,11,15H,1-5,9H2,(H,16,17)
InChIKeyIFJHKKXVODMBGZ-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.07
Rot. Bonds3

About 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid

2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid (PubChem CID 21199294) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid
PubChem CID21199294
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C14H18O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h6-8,11,15H,1-5,9H2,(H,16,17)
InChIKeyIFJHKKXVODMBGZ-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid (CID 21199294) is 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid is O=C(O)Cc1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid?
The InChIKey is IFJHKKXVODMBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h6-8,11,15H,1-5,9H2,(H,16,17).
What are the key properties of 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid?
2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid has a molecular weight of 234.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 21199294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).