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

C15H18O2S — CID 114518934

IUPAC(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1CCCCS1
InChIInChI=1S/C15H18O2S/c16-15(14-3-1-2-10-18-14)11-4-6-12(7-5-11)17-13-8-9-13/h4-7,13-14H,1-3,8-10H2
InChIKeyJLTYNCODEHDEJS-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.70
Rot. Bonds4

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

(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone (PubChem CID 114518934) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone
PubChem CID114518934
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1CCCCS1
InChIInChI=1S/C15H18O2S/c16-15(14-3-1-2-10-18-14)11-4-6-12(7-5-11)17-13-8-9-13/h4-7,13-14H,1-3,8-10H2
InChIKeyJLTYNCODEHDEJS-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114521229
(4-bromophenyl)-(thian-2-yl)methanone
CID 80596285
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
CID 116505684
4-cycloheptyloxybenzamide
CID 141109251
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
bromo 4-cyclobutyloxybenzoate
CID 70345059
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518858

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone (CID 114518934) is (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone is O=C(c1ccc(OC2CC2)cc1)C1CCCCS1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone?
The InChIKey is JLTYNCODEHDEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c16-15(14-3-1-2-10-18-14)11-4-6-12(7-5-11)17-13-8-9-13/h4-7,13-14H,1-3,8-10H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone?
(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone has a molecular weight of 262.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(thian-2-yl)methanone is sourced from PubChem (CID 114518934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).