(2-chlorophenyl)-dideuteriomethanol

C7H7ClO — CID 142596700

IUPAC(2-chlorophenyl)-dideuteriomethanol
SMILES[2H]C([2H])(O)c1ccccc1Cl
InChIInChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2/i5D2
InChIKeyMBYQPPXEXWRMQC-BFWBPSQCSA-N
MW144.60 g/mol
LogP1.83
Rot. Bonds1

About (2-chlorophenyl)-dideuteriomethanol

(2-chlorophenyl)-dideuteriomethanol (PubChem CID 142596700) has the molecular formula C7H7ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is (2-chlorophenyl)-dideuteriomethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-dideuteriomethanol
PubChem CID142596700
Molecular FormulaC7H7ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name(2-chlorophenyl)-dideuteriomethanol
SMILES[2H]C([2H])(O)c1ccccc1Cl
InChIInChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2/i5D2
InChIKeyMBYQPPXEXWRMQC-BFWBPSQCSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-dideuteriomethanol?
The IUPAC name of (2-chlorophenyl)-dideuteriomethanol (CID 142596700) is (2-chlorophenyl)-dideuteriomethanol.
What is the SMILES notation for (2-chlorophenyl)-dideuteriomethanol?
The canonical SMILES for (2-chlorophenyl)-dideuteriomethanol is [2H]C([2H])(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-dideuteriomethanol?
The InChIKey is MBYQPPXEXWRMQC-BFWBPSQCSA-N. The full InChI is InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2/i5D2.
What are the key properties of (2-chlorophenyl)-dideuteriomethanol?
(2-chlorophenyl)-dideuteriomethanol has a molecular weight of 144.60 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-dideuteriomethanol is sourced from PubChem (CID 142596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).