1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene

C17H20OS — CID 15758335

IUPAC1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene
SMILESCCOc1ccc(C(C)C)cc1Sc1ccccc1
InChIInChI=1S/C17H20OS/c1-4-18-16-11-10-14(13(2)3)12-17(16)19-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyQVDJPUFZGZWKKF-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.36
Rot. Bonds5

About 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene

1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene (PubChem CID 15758335) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene
PubChem CID15758335
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene
SMILESCCOc1ccc(C(C)C)cc1Sc1ccccc1
InChIInChI=1S/C17H20OS/c1-4-18-16-11-10-14(13(2)3)12-17(16)19-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyQVDJPUFZGZWKKF-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
4-(2-ethoxyphenyl)sulfanylaniline
CID 70586247
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-benzyl-2-ethoxy-5-propan-2-ylbenzenesulfonamide
CID 2234187
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
1-[chloro-(2-ethoxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63435434
3-ethoxy-2,6-di(propan-2-yl)naphthalene
CID 176586684
4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
4-(2-ethoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 5091482
(E)-4-(2-ethoxy-5-propan-2-ylphenyl)-4-oxobut-2-enoic acid
CID 82053981
(2-ethoxyphenyl) 4-propan-2-ylbenzoate
CID 1406532

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene?
The IUPAC name of 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene (CID 15758335) is 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene is CCOc1ccc(C(C)C)cc1Sc1ccccc1.
What is the InChIKey of 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene?
The InChIKey is QVDJPUFZGZWKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-4-18-16-11-10-14(13(2)3)12-17(16)19-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene?
1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene has a molecular weight of 272.41 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene is sourced from PubChem (CID 15758335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).