deuterio-(2-hydroxyphenyl)methanone

C7H6O2 — CID 91063368

IUPACdeuterio-(2-hydroxyphenyl)methanone
SMILES[2H]C(=O)c1ccccc1O
InChIInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/i5D
InChIKeySMQUZDBALVYZAC-UICOGKGYSA-N
MW123.13 g/mol
LogP1.20
Rot. Bonds1

About deuterio-(2-hydroxyphenyl)methanone

deuterio-(2-hydroxyphenyl)methanone (PubChem CID 91063368) has the molecular formula C7H6O2 and a molecular weight of 123.13 g/mol. Its IUPAC name is deuterio-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Namedeuterio-(2-hydroxyphenyl)methanone
PubChem CID91063368
Molecular FormulaC7H6O2
Molecular Weight123.13 g/mol
Exact Mass123.04
IUPAC Namedeuterio-(2-hydroxyphenyl)methanone
SMILES[2H]C(=O)c1ccccc1O
InChIInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/i5D
InChIKeySMQUZDBALVYZAC-UICOGKGYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 158421076
CID 158421076
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
(2-tert-butylphenyl)-deuteriomethanone
CID 58810547
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
aniline;2-hydroxybenzaldehyde
CID 159847329
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187

Frequently Asked Questions

What is the IUPAC name of deuterio-(2-hydroxyphenyl)methanone?
The IUPAC name of deuterio-(2-hydroxyphenyl)methanone (CID 91063368) is deuterio-(2-hydroxyphenyl)methanone.
What is the SMILES notation for deuterio-(2-hydroxyphenyl)methanone?
The canonical SMILES for deuterio-(2-hydroxyphenyl)methanone is [2H]C(=O)c1ccccc1O.
What is the InChIKey of deuterio-(2-hydroxyphenyl)methanone?
The InChIKey is SMQUZDBALVYZAC-UICOGKGYSA-N. The full InChI is InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/i5D.
What are the key properties of deuterio-(2-hydroxyphenyl)methanone?
deuterio-(2-hydroxyphenyl)methanone has a molecular weight of 123.13 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 91063368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).