cyclopropyl-methoxy-phenylmethanol

C11H14O2 — CID 154503172

IUPACcyclopropyl-methoxy-phenylmethanol
SMILESCOC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C11H14O2/c1-13-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKeyWXSYWGJIUFRJGE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.89
Rot. Bonds3

About cyclopropyl-methoxy-phenylmethanol

cyclopropyl-methoxy-phenylmethanol (PubChem CID 154503172) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is cyclopropyl-methoxy-phenylmethanol.

Molecular Properties

Compound Namecyclopropyl-methoxy-phenylmethanol
PubChem CID154503172
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Namecyclopropyl-methoxy-phenylmethanol
SMILESCOC(O)(c1ccccc1)C1CC1
InChIInChI=1S/C11H14O2/c1-13-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKeyWXSYWGJIUFRJGE-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
(1S)-1-methoxy-1-phenylethanol
CID 141414609
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate
CID 62393481
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
aluminum;methoxy(phenyl)methanediol;trichloride
CID 173442251
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828
methyl 2-(cyclopropyl-hydroxy-phenylmethyl)butanoate
CID 62395110
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
CID 11241556
CID 11241556

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-methoxy-phenylmethanol?
The IUPAC name of cyclopropyl-methoxy-phenylmethanol (CID 154503172) is cyclopropyl-methoxy-phenylmethanol.
What is the SMILES notation for cyclopropyl-methoxy-phenylmethanol?
The canonical SMILES for cyclopropyl-methoxy-phenylmethanol is COC(O)(c1ccccc1)C1CC1.
What is the InChIKey of cyclopropyl-methoxy-phenylmethanol?
The InChIKey is WXSYWGJIUFRJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-11(12,10-7-8-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3.
What are the key properties of cyclopropyl-methoxy-phenylmethanol?
cyclopropyl-methoxy-phenylmethanol has a molecular weight of 178.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-methoxy-phenylmethanol is sourced from PubChem (CID 154503172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).