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

C13H14O3 — CID 13113758

IUPAC(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCC2O)cc1
InChIInChI=1S/C13H14O3/c1-16-10-7-5-9(6-8-10)13(15)11-3-2-4-12(11)14/h3,5-8,12,14H,2,4H2,1H3
InChIKeyMWWRFNZJBLRARK-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.96
Rot. Bonds3

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

(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 13113758) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone
PubChem CID13113758
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCC2O)cc1
InChIInChI=1S/C13H14O3/c1-16-10-7-5-9(6-8-10)13(15)11-3-2-4-12(11)14/h3,5-8,12,14H,2,4H2,1H3
InChIKeyMWWRFNZJBLRARK-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
CID 101166633
2-(4-methoxybenzoyl)cyclohex-2-en-1-one
CID 142780960
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-(4-methoxyphenyl)-2-[2-(4-nitrobenzoyl)cyclohex-2-en-1-yl]ethanone
CID 101166639
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-methoxyphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
CID 154179958
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide
CID 90678958
2-(4-methoxybenzoyl)(113C)cyclohexan-1-one
CID 102598154

Frequently Asked Questions

What is the IUPAC name of (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone (CID 13113758) is (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2=CCCC2O)cc1.
What is the InChIKey of (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is MWWRFNZJBLRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-10-7-5-9(6-8-10)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-methoxyphenyl)methanone?
(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 218.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 13113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).