3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol

C10H12ClNO2 — CID 117103973

IUPAC3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol
SMILESOc1cccc(C2(O)CCNC2)c1Cl
InChIInChI=1S/C10H12ClNO2/c11-9-7(2-1-3-8(9)13)10(14)4-5-12-6-10/h1-3,12-14H,4-6H2
InChIKeyYWMHJFSUSJLJEP-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.23
Rot. Bonds1

About 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol

3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol (PubChem CID 117103973) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol
PubChem CID117103973
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol
SMILESOc1cccc(C2(O)CCNC2)c1Cl
InChIInChI=1S/C10H12ClNO2/c11-9-7(2-1-3-8(9)13)10(14)4-5-12-6-10/h1-3,12-14H,4-6H2
InChIKeyYWMHJFSUSJLJEP-UHFFFAOYSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol (CID 117103973) is 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol is Oc1cccc(C2(O)CCNC2)c1Cl.
What is the InChIKey of 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol?
The InChIKey is YWMHJFSUSJLJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-9-7(2-1-3-8(9)13)10(14)4-5-12-6-10/h1-3,12-14H,4-6H2.
What are the key properties of 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol?
3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol has a molecular weight of 213.66 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 117103973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).