(2-propoxyphenyl)-(thiolan-2-yl)methanone

C14H18O2S — CID 104659403

IUPAC(2-propoxyphenyl)-(thiolan-2-yl)methanone
SMILESCCCOc1ccccc1C(=O)C1CCCS1
InChIInChI=1S/C14H18O2S/c1-2-9-16-12-7-4-3-6-11(12)14(15)13-8-5-10-17-13/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyILUSFTWBJPNYPB-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.55
Rot. Bonds5

About (2-propoxyphenyl)-(thiolan-2-yl)methanone

(2-propoxyphenyl)-(thiolan-2-yl)methanone (PubChem CID 104659403) has the molecular formula C14H18O2S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2-propoxyphenyl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(2-propoxyphenyl)-(thiolan-2-yl)methanone
PubChem CID104659403
Molecular FormulaC14H18O2S
Molecular Weight250.36 g/mol
Exact Mass250.10
IUPAC Name(2-propoxyphenyl)-(thiolan-2-yl)methanone
SMILESCCCOc1ccccc1C(=O)C1CCCS1
InChIInChI=1S/C14H18O2S/c1-2-9-16-12-7-4-3-6-11(12)14(15)13-8-5-10-17-13/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyILUSFTWBJPNYPB-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609477
6-(2-propoxybenzoyl)piperidin-2-one
CID 54196538
(3-fluoro-2-methylphenyl)-(thiolan-2-yl)methanone
CID 130952108
2-(cyclopentylamino)-1-(2-propoxyphenyl)ethanone
CID 116558980
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
CID 105128593
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366
phenyl-(2-propoxyphenyl)methanone
CID 15556308
3-(cyclopropylamino)-1-(2-propoxyphenyl)propan-1-one
CID 116559237

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-(thiolan-2-yl)methanone?
The IUPAC name of (2-propoxyphenyl)-(thiolan-2-yl)methanone (CID 104659403) is (2-propoxyphenyl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (2-propoxyphenyl)-(thiolan-2-yl)methanone?
The canonical SMILES for (2-propoxyphenyl)-(thiolan-2-yl)methanone is CCCOc1ccccc1C(=O)C1CCCS1.
What is the InChIKey of (2-propoxyphenyl)-(thiolan-2-yl)methanone?
The InChIKey is ILUSFTWBJPNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S/c1-2-9-16-12-7-4-3-6-11(12)14(15)13-8-5-10-17-13/h3-4,6-7,13H,2,5,8-10H2,1H3.
What are the key properties of (2-propoxyphenyl)-(thiolan-2-yl)methanone?
(2-propoxyphenyl)-(thiolan-2-yl)methanone has a molecular weight of 250.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 104659403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).