(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone

C14H16O2S — CID 114521229

IUPAC(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1cccc(OC2CC2)c1)C1CCCS1
InChIInChI=1S/C14H16O2S/c15-14(13-5-2-8-17-13)10-3-1-4-12(9-10)16-11-6-7-11/h1,3-4,9,11,13H,2,5-8H2
InChIKeyPTCGFUGVRUGXKM-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.31
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone

(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone (PubChem CID 114521229) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
PubChem CID114521229
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1cccc(OC2CC2)c1)C1CCCS1
InChIInChI=1S/C14H16O2S/c15-14(13-5-2-8-17-13)10-3-1-4-12(9-10)16-11-6-7-11/h1,3-4,9,11,13H,2,5-8H2
InChIKeyPTCGFUGVRUGXKM-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
(3-cyclopropyloxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanone
CID 103344732
(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone
CID 114518934
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
3-cyclopentyloxybenzamide
CID 71932153
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(3-cyclopropyloxyphenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595193
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523789
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone (CID 114521229) is (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone is O=C(c1cccc(OC2CC2)c1)C1CCCS1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
The InChIKey is PTCGFUGVRUGXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c15-14(13-5-2-8-17-13)10-3-1-4-12(9-10)16-11-6-7-11/h1,3-4,9,11,13H,2,5-8H2.
What are the key properties of (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone has a molecular weight of 248.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 114521229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).