2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid

C15H20O2S — CID 65496784

IUPAC2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(C)c1ccc(SCC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C15H20O2S/c1-11(2)12-3-5-13(6-4-12)18-10-15(7-8-15)9-14(16)17/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyKVUXEMVHJAGQTE-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.16
Rot. Bonds6

About 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65496784) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65496784
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(C)c1ccc(SCC2(CC(=O)O)CC2)cc1
InChIInChI=1S/C15H20O2S/c1-11(2)12-3-5-13(6-4-12)18-10-15(7-8-15)9-14(16)17/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyKVUXEMVHJAGQTE-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid (CID 65496784) is 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid is CC(C)c1ccc(SCC2(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is KVUXEMVHJAGQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-11(2)12-3-5-13(6-4-12)18-10-15(7-8-15)9-14(16)17/h3-6,11H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 264.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65496784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).