2-(4-hydroxycyclohexyl)acetic acid

C8H14O3 — CID 12702257

IUPAC2-(4-hydroxycyclohexyl)acetic acid
SMILESO=C(O)CC1CCC(O)CC1
InChIInChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKeyALTAAUJNHYWOGS-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)acetic acid

2-(4-hydroxycyclohexyl)acetic acid (PubChem CID 12702257) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)acetic acid
PubChem CID12702257
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(4-hydroxycyclohexyl)acetic acid
SMILESO=C(O)CC1CCC(O)CC1
InChIInChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
InChIKeyALTAAUJNHYWOGS-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)acetic acid?
The IUPAC name of 2-(4-hydroxycyclohexyl)acetic acid (CID 12702257) is 2-(4-hydroxycyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)acetic acid?
The canonical SMILES for 2-(4-hydroxycyclohexyl)acetic acid is O=C(O)CC1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)acetic acid?
The InChIKey is ALTAAUJNHYWOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 2-(4-hydroxycyclohexyl)acetic acid?
2-(4-hydroxycyclohexyl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)acetic acid is sourced from PubChem (CID 12702257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).