(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone

C16H20O2 — CID 103447908

IUPAC(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1cccc(C2CCC2)c1)C1(O)CCCC1
InChIInChI=1S/C16H20O2/c17-15(16(18)9-1-2-10-16)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-8,11-12,18H,1-3,5-6,9-10H2
InChIKeyVFLYIRJUBGUWNT-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.44
Rot. Bonds3

About (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone

(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone (PubChem CID 103447908) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
PubChem CID103447908
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1cccc(C2CCC2)c1)C1(O)CCCC1
InChIInChI=1S/C16H20O2/c17-15(16(18)9-1-2-10-16)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-8,11-12,18H,1-3,5-6,9-10H2
InChIKeyVFLYIRJUBGUWNT-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
2-(1-aminocyclohexyl)-1-(3-cyclobutylphenyl)ethanone
CID 114607601
3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
CID 115814566
azetidin-3-yl-(3-cyclobutylphenyl)methanone
CID 114607630
[1-(aminomethyl)-4-methylcyclohexyl]-(3-cyclobutylphenyl)methanone
CID 114607743
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
CID 114607433
1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
CID 84693841
(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115814724
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
(4-amino-3-methyloxolan-3-yl)-(3-cyclobutylphenyl)methanone
CID 114607511

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone (CID 103447908) is (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone is O=C(c1cccc(C2CCC2)c1)C1(O)CCCC1.
What is the InChIKey of (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone?
The InChIKey is VFLYIRJUBGUWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15(16(18)9-1-2-10-16)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-8,11-12,18H,1-3,5-6,9-10H2.
What are the key properties of (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone?
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone has a molecular weight of 244.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 103447908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).