2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol

C14H20O2 — CID 130324899

IUPAC2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol
SMILESCC(C)c1cc(O)cc([C@H](C)C2CC2)c1O
InChIInChI=1S/C14H20O2/c1-8(2)12-6-11(15)7-13(14(12)16)9(3)10-4-5-10/h6-10,15-16H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyUVZLUVBEPYPWFT-SECBINFHSA-N
MW220.31 g/mol
LogP3.73
Rot. Bonds3

About 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol

2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol (PubChem CID 130324899) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol
PubChem CID130324899
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol
SMILESCC(C)c1cc(O)cc([C@H](C)C2CC2)c1O
InChIInChI=1S/C14H20O2/c1-8(2)12-6-11(15)7-13(14(12)16)9(3)10-4-5-10/h6-10,15-16H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyUVZLUVBEPYPWFT-SECBINFHSA-N
XLogP3.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol?
The IUPAC name of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol (CID 130324899) is 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol.
What is the SMILES notation for 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol?
The canonical SMILES for 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol is CC(C)c1cc(O)cc([C@H](C)C2CC2)c1O.
What is the InChIKey of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol?
The InChIKey is UVZLUVBEPYPWFT-SECBINFHSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)12-6-11(15)7-13(14(12)16)9(3)10-4-5-10/h6-10,15-16H,4-5H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol?
2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol has a molecular weight of 220.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylbenzene-1,4-diol is sourced from PubChem (CID 130324899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).