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

C10H13ClO3 — CID 20572636

IUPAC(3-chloro-2,4,5-trimethylphenyl)methanetriol
SMILESCc1cc(C(O)(O)O)c(C)c(Cl)c1C
InChIInChI=1S/C10H13ClO3/c1-5-4-8(10(12,13)14)7(3)9(11)6(5)2/h4,12-14H,1-3H3
InChIKeyQCPRKPVLUQTNJO-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.35
Rot. Bonds1

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

(3-chloro-2,4,5-trimethylphenyl)methanetriol (PubChem CID 20572636) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is (3-chloro-2,4,5-trimethylphenyl)methanetriol.

Molecular Properties

Compound Name(3-chloro-2,4,5-trimethylphenyl)methanetriol
PubChem CID20572636
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name(3-chloro-2,4,5-trimethylphenyl)methanetriol
SMILESCc1cc(C(O)(O)O)c(C)c(Cl)c1C
InChIInChI=1S/C10H13ClO3/c1-5-4-8(10(12,13)14)7(3)9(11)6(5)2/h4,12-14H,1-3H3
InChIKeyQCPRKPVLUQTNJO-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 (3-chloro-2,4,5-trimethylphenyl)methanetriol?
The IUPAC name of (3-chloro-2,4,5-trimethylphenyl)methanetriol (CID 20572636) is (3-chloro-2,4,5-trimethylphenyl)methanetriol.
What is the SMILES notation for (3-chloro-2,4,5-trimethylphenyl)methanetriol?
The canonical SMILES for (3-chloro-2,4,5-trimethylphenyl)methanetriol is Cc1cc(C(O)(O)O)c(C)c(Cl)c1C.
What is the InChIKey of (3-chloro-2,4,5-trimethylphenyl)methanetriol?
The InChIKey is QCPRKPVLUQTNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-5-4-8(10(12,13)14)7(3)9(11)6(5)2/h4,12-14H,1-3H3.
What are the key properties of (3-chloro-2,4,5-trimethylphenyl)methanetriol?
(3-chloro-2,4,5-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 (3-chloro-2,4,5-trimethylphenyl)methanetriol is sourced from PubChem (CID 20572636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).