[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol

C13H17ClO3S — CID 105424453

IUPAC[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol
SMILESCC(C)S(=O)(=O)c1ccc(C2(CO)CC2)cc1Cl
InChIInChI=1S/C13H17ClO3S/c1-9(2)18(16,17)12-4-3-10(7-11(12)14)13(8-15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyJYAMYLRISQHLGA-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.55
Rot. Bonds4

About [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol

[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol (PubChem CID 105424453) has the molecular formula C13H17ClO3S and a molecular weight of 288.80 g/mol. Its IUPAC name is [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol
PubChem CID105424453
Molecular FormulaC13H17ClO3S
Molecular Weight288.80 g/mol
Exact Mass288.06
IUPAC Name[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol
SMILESCC(C)S(=O)(=O)c1ccc(C2(CO)CC2)cc1Cl
InChIInChI=1S/C13H17ClO3S/c1-9(2)18(16,17)12-4-3-10(7-11(12)14)13(8-15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyJYAMYLRISQHLGA-UHFFFAOYSA-N
XLogP2.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol
CID 105424457
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661
2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2-methylpropan-1-ol
CID 105425093
[1-(3-bromo-4-methylsulfonylphenyl)cyclopropyl]methanol
CID 105424454
2-(3-chloro-4-propan-2-ylsulfonylphenyl)-2,2-difluoroethanamine
CID 105424721
[1-(3-bromo-4-methylsulfanylphenyl)cyclopropyl]methanol
CID 105424442
methyl 1-(3-chloro-4-ethylsulfonylphenyl)cyclopropane-1-carboxylate
CID 105426628
3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-methylpropanoic acid
CID 115112846
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 134370434
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol (CID 105424453) is [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol is CC(C)S(=O)(=O)c1ccc(C2(CO)CC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol?
The InChIKey is JYAMYLRISQHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3S/c1-9(2)18(16,17)12-4-3-10(7-11(12)14)13(8-15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol?
[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol has a molecular weight of 288.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 105424453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).