(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone

C17H22O2S — CID 171940602

IUPAC(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CC3CCC(C2)S3)cc1
InChIInChI=1S/C17H22O2S/c1-11(2)19-14-5-3-12(4-6-14)17(18)13-9-15-7-8-16(10-13)20-15/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeySAQWSJVZAVHSAA-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.33
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone

(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171940602) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171940602
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CC3CCC(C2)S3)cc1
InChIInChI=1S/C17H22O2S/c1-11(2)19-14-5-3-12(4-6-14)17(18)13-9-15-7-8-16(10-13)20-15/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeySAQWSJVZAVHSAA-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
3-(4-propan-2-yloxybenzoyl)cyclopentan-1-one
CID 79638659
(4-ethoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171946948
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507
tert-butyl 3-(4-propan-2-yloxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171940608
(4-propan-2-yloxyphenyl)-(thian-2-yl)methanone
CID 80622537
2-[4-(8-thiabicyclo[3.2.1]octane-3-carbonyl)phenyl]acetonitrile
CID 171946365
9-thiabicyclo[3.3.1]nonan-3-yl-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 171942661
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927
[3-(difluoromethoxy)phenyl]-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940487

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171940602) is (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone is CC(C)Oc1ccc(C(=O)C2CC3CCC(C2)S3)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is SAQWSJVZAVHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c1-11(2)19-14-5-3-12(4-6-14)17(18)13-9-15-7-8-16(10-13)20-15/h3-6,11,13,15-16H,7-10H2,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
(4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 290.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171940602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).