(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol

C17H18OS — CID 115838733

IUPAC(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol
SMILESCSc1ccccc1C(O)C1CC1c1ccccc1
InChIInChI=1S/C17H18OS/c1-19-16-10-6-5-9-13(16)17(18)15-11-14(15)12-7-3-2-4-8-12/h2-10,14-15,17-18H,11H2,1H3
InChIKeyVMKCDBPBODZIMR-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.25
Rot. Bonds4

About (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol

(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol (PubChem CID 115838733) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol
PubChem CID115838733
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol
SMILESCSc1ccccc1C(O)C1CC1c1ccccc1
InChIInChI=1S/C17H18OS/c1-19-16-10-6-5-9-13(16)17(18)15-11-14(15)12-7-3-2-4-8-12/h2-10,14-15,17-18H,11H2,1H3
InChIKeyVMKCDBPBODZIMR-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 105131922
(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
(3-methylimidazol-4-yl)-(2-phenylcyclopropyl)methanol
CID 116516866
(2,2-dimethylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 107005493
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
(2-phenylcyclopropyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 116517213
(2-phenylcyclopropyl)-(3-propylphenyl)methanol
CID 115838097
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol?
The IUPAC name of (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol (CID 115838733) is (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol.
What is the SMILES notation for (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol?
The canonical SMILES for (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol is CSc1ccccc1C(O)C1CC1c1ccccc1.
What is the InChIKey of (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol?
The InChIKey is VMKCDBPBODZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-19-16-10-6-5-9-13(16)17(18)15-11-14(15)12-7-3-2-4-8-12/h2-10,14-15,17-18H,11H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol?
(2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol has a molecular weight of 270.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(2-phenylcyclopropyl)methanol is sourced from PubChem (CID 115838733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).