(4-chloro-2,3,5-triethylphenyl)methanetriol

C13H19ClO3 — CID 21402115

IUPAC(4-chloro-2,3,5-triethylphenyl)methanetriol
SMILESCCc1cc(C(O)(O)O)c(CC)c(CC)c1Cl
InChIInChI=1S/C13H19ClO3/c1-4-8-7-11(13(15,16)17)9(5-2)10(6-3)12(8)14/h7,15-17H,4-6H2,1-3H3
InChIKeyRVHOEWPFINIBQS-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.11
Rot. Bonds4

About (4-chloro-2,3,5-triethylphenyl)methanetriol

(4-chloro-2,3,5-triethylphenyl)methanetriol (PubChem CID 21402115) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is (4-chloro-2,3,5-triethylphenyl)methanetriol.

Molecular Properties

Compound Name(4-chloro-2,3,5-triethylphenyl)methanetriol
PubChem CID21402115
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name(4-chloro-2,3,5-triethylphenyl)methanetriol
SMILESCCc1cc(C(O)(O)O)c(CC)c(CC)c1Cl
InChIInChI=1S/C13H19ClO3/c1-4-8-7-11(13(15,16)17)9(5-2)10(6-3)12(8)14/h7,15-17H,4-6H2,1-3H3
InChIKeyRVHOEWPFINIBQS-UHFFFAOYSA-N
XLogP2.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-chloro-2,3,5-triethylphenyl)methanetriol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3,5-triethylphenyl)methanetriol?
The IUPAC name of (4-chloro-2,3,5-triethylphenyl)methanetriol (CID 21402115) is (4-chloro-2,3,5-triethylphenyl)methanetriol.
What is the SMILES notation for (4-chloro-2,3,5-triethylphenyl)methanetriol?
The canonical SMILES for (4-chloro-2,3,5-triethylphenyl)methanetriol is CCc1cc(C(O)(O)O)c(CC)c(CC)c1Cl.
What is the InChIKey of (4-chloro-2,3,5-triethylphenyl)methanetriol?
The InChIKey is RVHOEWPFINIBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-4-8-7-11(13(15,16)17)9(5-2)10(6-3)12(8)14/h7,15-17H,4-6H2,1-3H3.
What are the key properties of (4-chloro-2,3,5-triethylphenyl)methanetriol?
(4-chloro-2,3,5-triethylphenyl)methanetriol has a molecular weight of 258.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,3,5-triethylphenyl)methanetriol is sourced from PubChem (CID 21402115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).