4-chloro-2,6-bis(1-hydroxyethyl)phenol

C10H13ClO3 — CID 21162833

IUPAC4-chloro-2,6-bis(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)cc(C(C)O)c1O
InChIInChI=1S/C10H13ClO3/c1-5(12)8-3-7(11)4-9(6(2)13)10(8)14/h3-6,12-14H,1-2H3
InChIKeyZERLTRQSESREKX-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.15
Rot. Bonds2

About 4-chloro-2,6-bis(1-hydroxyethyl)phenol

4-chloro-2,6-bis(1-hydroxyethyl)phenol (PubChem CID 21162833) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 4-chloro-2,6-bis(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name4-chloro-2,6-bis(1-hydroxyethyl)phenol
PubChem CID21162833
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name4-chloro-2,6-bis(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)cc(C(C)O)c1O
InChIInChI=1S/C10H13ClO3/c1-5(12)8-3-7(11)4-9(6(2)13)10(8)14/h3-6,12-14H,1-2H3
InChIKeyZERLTRQSESREKX-UHFFFAOYSA-N
XLogP2.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(1-hydroxyethyl)phenol?
The IUPAC name of 4-chloro-2,6-bis(1-hydroxyethyl)phenol (CID 21162833) is 4-chloro-2,6-bis(1-hydroxyethyl)phenol.
What is the SMILES notation for 4-chloro-2,6-bis(1-hydroxyethyl)phenol?
The canonical SMILES for 4-chloro-2,6-bis(1-hydroxyethyl)phenol is CC(O)c1cc(Cl)cc(C(C)O)c1O.
What is the InChIKey of 4-chloro-2,6-bis(1-hydroxyethyl)phenol?
The InChIKey is ZERLTRQSESREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-5(12)8-3-7(11)4-9(6(2)13)10(8)14/h3-6,12-14H,1-2H3.
What are the key properties of 4-chloro-2,6-bis(1-hydroxyethyl)phenol?
4-chloro-2,6-bis(1-hydroxyethyl)phenol has a molecular weight of 216.66 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis(1-hydroxyethyl)phenol is sourced from PubChem (CID 21162833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).