2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol

C16H20O — CID 122442091

IUPAC2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol
SMILESC=C(c1cccc([C@H](C)C2CC2)c1O)C1CC1
InChIInChI=1S/C16H20O/c1-10(12-6-7-12)14-4-3-5-15(16(14)17)11(2)13-8-9-13/h3-5,11-13,17H,1,6-9H2,2H3/t11-/m1/s1
InChIKeyQRVMFSTWXSOLMK-LLVKDONJSA-N
MW228.33 g/mol
LogP4.33
Rot. Bonds4

About 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol

2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol (PubChem CID 122442091) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol.

Molecular Properties

Compound Name2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol
PubChem CID122442091
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol
SMILESC=C(c1cccc([C@H](C)C2CC2)c1O)C1CC1
InChIInChI=1S/C16H20O/c1-10(12-6-7-12)14-4-3-5-15(16(14)17)11(2)13-8-9-13/h3-5,11-13,17H,1,6-9H2,2H3/t11-/m1/s1
InChIKeyQRVMFSTWXSOLMK-LLVKDONJSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol?
The IUPAC name of 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol (CID 122442091) is 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol.
What is the SMILES notation for 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol?
The canonical SMILES for 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol is C=C(c1cccc([C@H](C)C2CC2)c1O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol?
The InChIKey is QRVMFSTWXSOLMK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20O/c1-10(12-6-7-12)14-4-3-5-15(16(14)17)11(2)13-8-9-13/h3-5,11-13,17H,1,6-9H2,2H3/t11-/m1/s1.
What are the key properties of 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol?
2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol has a molecular weight of 228.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol is sourced from PubChem (CID 122442091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).