2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol

C14H20O — CID 86301664

IUPAC2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
SMILESCC(C)c1cccc([C@H](C)C2CC2)c1O
InChIInChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1
InChIKeyBMEARIQHWSVDBS-SNVBAGLBSA-N
MW204.31 g/mol
LogP4.03
Rot. Bonds3

About 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol

2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol (PubChem CID 86301664) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
PubChem CID86301664
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol
SMILESCC(C)c1cccc([C@H](C)C2CC2)c1O
InChIInChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1
InChIKeyBMEARIQHWSVDBS-SNVBAGLBSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
The IUPAC name of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol (CID 86301664) is 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol.
What is the SMILES notation for 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
The canonical SMILES for 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol is CC(C)c1cccc([C@H](C)C2CC2)c1O.
What is the InChIKey of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
The InChIKey is BMEARIQHWSVDBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol?
2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol has a molecular weight of 204.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol is sourced from PubChem (CID 86301664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).