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

C10H13ClO3 — CID 20572643

IUPAC(4-chloro-2,3,5-trimethylphenyl)methanetriol
SMILESCc1cc(C(O)(O)O)c(C)c(C)c1Cl
InChIInChI=1S/C10H13ClO3/c1-5-4-8(10(12,13)14)6(2)7(3)9(5)11/h4,12-14H,1-3H3
InChIKeyPHHINWTVTJBFJN-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.35
Rot. Bonds1

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

(4-chloro-2,3,5-trimethylphenyl)methanetriol (PubChem CID 20572643) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is (4-chloro-2,3,5-trimethylphenyl)methanetriol.

Molecular Properties

Compound Name(4-chloro-2,3,5-trimethylphenyl)methanetriol
PubChem CID20572643
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name(4-chloro-2,3,5-trimethylphenyl)methanetriol
SMILESCc1cc(C(O)(O)O)c(C)c(C)c1Cl
InChIInChI=1S/C10H13ClO3/c1-5-4-8(10(12,13)14)6(2)7(3)9(5)11/h4,12-14H,1-3H3
InChIKeyPHHINWTVTJBFJN-UHFFFAOYSA-N
XLogP1.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,3,5-trimethylphenyl)methanetriol?
The IUPAC name of (4-chloro-2,3,5-trimethylphenyl)methanetriol (CID 20572643) is (4-chloro-2,3,5-trimethylphenyl)methanetriol.
What is the SMILES notation for (4-chloro-2,3,5-trimethylphenyl)methanetriol?
The canonical SMILES for (4-chloro-2,3,5-trimethylphenyl)methanetriol is Cc1cc(C(O)(O)O)c(C)c(C)c1Cl.
What is the InChIKey of (4-chloro-2,3,5-trimethylphenyl)methanetriol?
The InChIKey is PHHINWTVTJBFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-5-4-8(10(12,13)14)6(2)7(3)9(5)11/h4,12-14H,1-3H3.
What are the key properties of (4-chloro-2,3,5-trimethylphenyl)methanetriol?
(4-chloro-2,3,5-trimethylphenyl)methanetriol has a molecular weight of 216.66 g/mol, XLogP of 1.35, 1 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-trimethylphenyl)methanetriol is sourced from PubChem (CID 20572643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).