1-ethylsulfonyl-6-phenylheptan-4-ol

C15H24O3S — CID 65150364

IUPAC1-ethylsulfonyl-6-phenylheptan-4-ol
SMILESCCS(=O)(=O)CCCC(O)CC(C)c1ccccc1
InChIInChI=1S/C15H24O3S/c1-3-19(17,18)11-7-10-15(16)12-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyPZXSGLNOWAXESH-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.76
Rot. Bonds8

About 1-ethylsulfonyl-6-phenylheptan-4-ol

1-ethylsulfonyl-6-phenylheptan-4-ol (PubChem CID 65150364) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-phenylheptan-4-ol.

Molecular Properties

Compound Name1-ethylsulfonyl-6-phenylheptan-4-ol
PubChem CID65150364
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name1-ethylsulfonyl-6-phenylheptan-4-ol
SMILESCCS(=O)(=O)CCCC(O)CC(C)c1ccccc1
InChIInChI=1S/C15H24O3S/c1-3-19(17,18)11-7-10-15(16)12-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyPZXSGLNOWAXESH-UHFFFAOYSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
6-methyl-2-phenylnonan-4-ol
CID 65150012
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
2,14-diphenylpentadecan-8-ol
CID 71175182
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070
3-phenylbutane-1,1-diol
CID 18417931
1,1-diphenylheptan-3-ol
CID 132530442
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
6-(benzenesulfonyl)hexan-3-ol
CID 106808103
1-nitro-4-phenylpentan-2-ol
CID 121216644
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-phenylheptan-4-ol?
The IUPAC name of 1-ethylsulfonyl-6-phenylheptan-4-ol (CID 65150364) is 1-ethylsulfonyl-6-phenylheptan-4-ol.
What is the SMILES notation for 1-ethylsulfonyl-6-phenylheptan-4-ol?
The canonical SMILES for 1-ethylsulfonyl-6-phenylheptan-4-ol is CCS(=O)(=O)CCCC(O)CC(C)c1ccccc1.
What is the InChIKey of 1-ethylsulfonyl-6-phenylheptan-4-ol?
The InChIKey is PZXSGLNOWAXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-3-19(17,18)11-7-10-15(16)12-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-6-phenylheptan-4-ol?
1-ethylsulfonyl-6-phenylheptan-4-ol has a molecular weight of 284.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6-phenylheptan-4-ol is sourced from PubChem (CID 65150364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).