[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol

C13H18O2 — CID 10632110

IUPAC[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol
SMILESCC(C)Oc1ccccc1[C@@H]1C[C@H]1CO
InChIInChI=1S/C13H18O2/c1-9(2)15-13-6-4-3-5-11(13)12-7-10(12)8-14/h3-6,9-10,12,14H,7-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyNHNXVNNJJWBVHI-CMPLNLGQSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds4

About [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol

[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol (PubChem CID 10632110) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol
PubChem CID10632110
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol
SMILESCC(C)Oc1ccccc1[C@@H]1C[C@H]1CO
InChIInChI=1S/C13H18O2/c1-9(2)15-13-6-4-3-5-11(13)12-7-10(12)8-14/h3-6,9-10,12,14H,7-8H2,1-2H3/t10-,12+/m0/s1
InChIKeyNHNXVNNJJWBVHI-CMPLNLGQSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol (CID 10632110) is [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol is CC(C)Oc1ccccc1[C@@H]1C[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol?
The InChIKey is NHNXVNNJJWBVHI-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H18O2/c1-9(2)15-13-6-4-3-5-11(13)12-7-10(12)8-14/h3-6,9-10,12,14H,7-8H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol?
[(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-propan-2-yloxyphenyl)cyclopropyl]methanol is sourced from PubChem (CID 10632110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).