2-(cyclobuten-1-yl)-2-phenylethanol

C12H14O — CID 71775978

IUPAC2-(cyclobuten-1-yl)-2-phenylethanol
SMILESOCC(C1=CCC1)c1ccccc1
InChIInChI=1S/C12H14O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-7,12-13H,4,8-9H2
InChIKeyXVCODDPQYROILP-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.48
Rot. Bonds3

About 2-(cyclobuten-1-yl)-2-phenylethanol

2-(cyclobuten-1-yl)-2-phenylethanol (PubChem CID 71775978) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(cyclobuten-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(cyclobuten-1-yl)-2-phenylethanol
PubChem CID71775978
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-(cyclobuten-1-yl)-2-phenylethanol
SMILESOCC(C1=CCC1)c1ccccc1
InChIInChI=1S/C12H14O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-7,12-13H,4,8-9H2
InChIKeyXVCODDPQYROILP-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-phenylethanol
CID 118542656
2-(4,5-dihydro-1,2-oxazol-3-yl)-2-phenylethanol
CID 130124537
2-chloro-3,3-diphenylpropan-1-ol
CID 57151850
(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
CID 11300855
cyclopenten-1-yl(phenyl)methanol
CID 62079270
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(3R)-3-(3-methylcyclohexa-1,3-dien-1-yl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 173053427
2-anthracen-9-yl-2-phenylethanol
CID 87369453
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobuten-1-yl)-2-phenylethanol?
The IUPAC name of 2-(cyclobuten-1-yl)-2-phenylethanol (CID 71775978) is 2-(cyclobuten-1-yl)-2-phenylethanol.
What is the SMILES notation for 2-(cyclobuten-1-yl)-2-phenylethanol?
The canonical SMILES for 2-(cyclobuten-1-yl)-2-phenylethanol is OCC(C1=CCC1)c1ccccc1.
What is the InChIKey of 2-(cyclobuten-1-yl)-2-phenylethanol?
The InChIKey is XVCODDPQYROILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-7,12-13H,4,8-9H2.
What are the key properties of 2-(cyclobuten-1-yl)-2-phenylethanol?
2-(cyclobuten-1-yl)-2-phenylethanol has a molecular weight of 174.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-yl)-2-phenylethanol is sourced from PubChem (CID 71775978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).