(5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone

C13H14O2 — CID 11586475

IUPAC(5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CCCC2O)cc1
InChIInChI=1S/C13H14O2/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14/h3,5-8,12,14H,2,4H2,1H3
InChIKeyPXRSUZIKNCFMET-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.26
Rot. Bonds2

About (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone

(5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone (PubChem CID 11586475) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone
PubChem CID11586475
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=CCCC2O)cc1
InChIInChI=1S/C13H14O2/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14/h3,5-8,12,14H,2,4H2,1H3
InChIKeyPXRSUZIKNCFMET-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone (CID 11586475) is (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=CCCC2O)cc1.
What is the InChIKey of (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone?
The InChIKey is PXRSUZIKNCFMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14/h3,5-8,12,14H,2,4H2,1H3.
What are the key properties of (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone?
(5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone has a molecular weight of 202.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxycyclopenten-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 11586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).