CID 57429516

C8H7O2 — CID 57429516

IUPAC—
SMILESC=C([O])c1ccc(O)cc1
InChIInChI=1S/C8H7O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H2
InChIKeyMXIQNTOOKXCVRK-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.79
Rot. Bonds1

About CID 57429516

CID 57429516 (PubChem CID 57429516) has the molecular formula C8H7O2 and a molecular weight of 135.14 g/mol.

Molecular Properties

Compound NameCID 57429516
PubChem CID57429516
Molecular FormulaC8H7O2
Molecular Weight135.14 g/mol
Exact Mass135.04
IUPAC Name—
SMILESC=C([O])c1ccc(O)cc1
InChIInChI=1S/C8H7O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H2
InChIKeyMXIQNTOOKXCVRK-UHFFFAOYSA-N
XLogP1.79
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
CID 67862171
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606
benzene-1,4-diol;carbamic acid
CID 158152403
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-hydroxybenzoic acid;decahydrate
CID 140502755

Frequently Asked Questions

What is the IUPAC name of CID 57429516?
The IUPAC name of CID 57429516 (CID 57429516) is not available.
What is the SMILES notation for CID 57429516?
The canonical SMILES for CID 57429516 is C=C([O])c1ccc(O)cc1.
What is the InChIKey of CID 57429516?
The InChIKey is MXIQNTOOKXCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H2.
What are the key properties of CID 57429516?
CID 57429516 has a molecular weight of 135.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57429516 is sourced from PubChem (CID 57429516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).