2-chloro-5-(1-hydroxycyclopropyl)phenol

C9H9ClO2 — CID 84769519

IUPAC2-chloro-5-(1-hydroxycyclopropyl)phenol
SMILESOc1cc(C2(O)CC2)ccc1Cl
InChIInChI=1S/C9H9ClO2/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,11-12H,3-4H2
InChIKeyDUFKKPXKPQUTPP-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.03
Rot. Bonds1

About 2-chloro-5-(1-hydroxycyclopropyl)phenol

2-chloro-5-(1-hydroxycyclopropyl)phenol (PubChem CID 84769519) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-chloro-5-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name2-chloro-5-(1-hydroxycyclopropyl)phenol
PubChem CID84769519
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name2-chloro-5-(1-hydroxycyclopropyl)phenol
SMILESOc1cc(C2(O)CC2)ccc1Cl
InChIInChI=1S/C9H9ClO2/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,11-12H,3-4H2
InChIKeyDUFKKPXKPQUTPP-UHFFFAOYSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 2-chloro-5-(1-hydroxycyclopropyl)phenol (CID 84769519) is 2-chloro-5-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 2-chloro-5-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 2-chloro-5-(1-hydroxycyclopropyl)phenol is Oc1cc(C2(O)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(1-hydroxycyclopropyl)phenol?
The InChIKey is DUFKKPXKPQUTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,11-12H,3-4H2.
What are the key properties of 2-chloro-5-(1-hydroxycyclopropyl)phenol?
2-chloro-5-(1-hydroxycyclopropyl)phenol has a molecular weight of 184.62 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 84769519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).