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

C14H16O2S — CID 114518933

IUPAC(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1CCCS1
InChIInChI=1S/C14H16O2S/c15-14(13-2-1-9-17-13)10-3-5-11(6-4-10)16-12-7-8-12/h3-6,12-13H,1-2,7-9H2
InChIKeyPVKQUEPMDOGDAZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.31
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone

(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone (PubChem CID 114518933) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
PubChem CID114518933
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1CCCS1
InChIInChI=1S/C14H16O2S/c15-14(13-2-1-9-17-13)10-3-5-11(6-4-10)16-12-7-8-12/h3-6,12-13H,1-2,7-9H2
InChIKeyPVKQUEPMDOGDAZ-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)-(thian-2-yl)methanone
CID 114518934
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114521229
(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
CID 116505684
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
(4-bromophenyl)-(thian-2-yl)methanone
CID 80596285
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
pyrimidin-5-yl(thiolan-2-yl)methanone
CID 80622174
[3-fluoro-4-(trifluoromethyl)phenyl]-(thiolan-2-yl)methanone
CID 107288246
bromo 4-cyclobutyloxybenzoate
CID 70345059
4-cycloheptyloxybenzamide
CID 141109251

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone (CID 114518933) is (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone is O=C(c1ccc(OC2CC2)cc1)C1CCCS1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
The InChIKey is PVKQUEPMDOGDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c15-14(13-2-1-9-17-13)10-3-5-11(6-4-10)16-12-7-8-12/h3-6,12-13H,1-2,7-9H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone?
(4-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 (4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 114518933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).