CID 58245623

C10H10O2 — CID 58245623

IUPAC—
SMILES[CH]C(=O)Cc1ccccc1CO
InChIInChI=1S/C10H10O2/c1-8(12)6-9-4-2-3-5-10(9)7-11/h1-5,11H,6-7H2
InChIKeyKPRVDQZUAPPAQB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.00
Rot. Bonds3

About CID 58245623

CID 58245623 (PubChem CID 58245623) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol.

Molecular Properties

Compound NameCID 58245623
PubChem CID58245623
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name—
SMILES[CH]C(=O)Cc1ccccc1CO
InChIInChI=1S/C10H10O2/c1-8(12)6-9-4-2-3-5-10(9)7-11/h1-5,11H,6-7H2
InChIKeyKPRVDQZUAPPAQB-UHFFFAOYSA-N
XLogP1.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3aR,6aS)-2-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-[2-(hydroxymethyl)phenyl]ethanone
CID 138054702
methyl 2-[2-[2-[2-(hydroxymethyl)phenyl]acetyl]hydrazinyl]acetate
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Frequently Asked Questions

What is the IUPAC name of CID 58245623?
The IUPAC name of CID 58245623 (CID 58245623) is not available.
What is the SMILES notation for CID 58245623?
The canonical SMILES for CID 58245623 is [CH]C(=O)Cc1ccccc1CO.
What is the InChIKey of CID 58245623?
The InChIKey is KPRVDQZUAPPAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-8(12)6-9-4-2-3-5-10(9)7-11/h1-5,11H,6-7H2.
What are the key properties of CID 58245623?
CID 58245623 has a molecular weight of 162.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58245623 is sourced from PubChem (CID 58245623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).