(2,3,4-trichloronaphthalen-1-yl)methanol

C11H7Cl3O — CID 178076089

IUPAC(2,3,4-trichloronaphthalen-1-yl)methanol
SMILESOCc1c(Cl)c(Cl)c(Cl)c2ccccc12
InChIInChI=1S/C11H7Cl3O/c12-9-7-4-2-1-3-6(7)8(5-15)10(13)11(9)14/h1-4,15H,5H2
InChIKeyDDPKKABQFUDZHO-UHFFFAOYSA-N
MW261.53 g/mol
LogP4.29
Rot. Bonds1

About (2,3,4-trichloronaphthalen-1-yl)methanol

(2,3,4-trichloronaphthalen-1-yl)methanol (PubChem CID 178076089) has the molecular formula C11H7Cl3O and a molecular weight of 261.53 g/mol. Its IUPAC name is (2,3,4-trichloronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2,3,4-trichloronaphthalen-1-yl)methanol
PubChem CID178076089
Molecular FormulaC11H7Cl3O
Molecular Weight261.53 g/mol
Exact Mass259.96
IUPAC Name(2,3,4-trichloronaphthalen-1-yl)methanol
SMILESOCc1c(Cl)c(Cl)c(Cl)c2ccccc12
InChIInChI=1S/C11H7Cl3O/c12-9-7-4-2-1-3-6(7)8(5-15)10(13)11(9)14/h1-4,15H,5H2
InChIKeyDDPKKABQFUDZHO-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trichloronaphthalen-1-yl)methanol?
The IUPAC name of (2,3,4-trichloronaphthalen-1-yl)methanol (CID 178076089) is (2,3,4-trichloronaphthalen-1-yl)methanol.
What is the SMILES notation for (2,3,4-trichloronaphthalen-1-yl)methanol?
The canonical SMILES for (2,3,4-trichloronaphthalen-1-yl)methanol is OCc1c(Cl)c(Cl)c(Cl)c2ccccc12.
What is the InChIKey of (2,3,4-trichloronaphthalen-1-yl)methanol?
The InChIKey is DDPKKABQFUDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3O/c12-9-7-4-2-1-3-6(7)8(5-15)10(13)11(9)14/h1-4,15H,5H2.
What are the key properties of (2,3,4-trichloronaphthalen-1-yl)methanol?
(2,3,4-trichloronaphthalen-1-yl)methanol has a molecular weight of 261.53 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trichloronaphthalen-1-yl)methanol is sourced from PubChem (CID 178076089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).