2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol

C13H16O — CID 130126841

IUPAC2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
SMILESCC1(C)C(CCO)=C1c1ccccc1
InChIInChI=1S/C13H16O/c1-13(2)11(8-9-14)12(13)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3
InChIKeyCBUANKGXNSCQAI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.86
Rot. Bonds3

About 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol

2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol (PubChem CID 130126841) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
PubChem CID130126841
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
SMILESCC1(C)C(CCO)=C1c1ccccc1
InChIInChI=1S/C13H16O/c1-13(2)11(8-9-14)12(13)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3
InChIKeyCBUANKGXNSCQAI-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
1,1'-biphenyl;methanol;propane
CID 91033003
methanesulfonic acid;2-(2-phenylphenyl)ethanol
CID 87871544
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
2-(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)ethanol
CID 70178572
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
butane-2,3-diol;2-phenylethanol
CID 175116943
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
formaldehyde;2-phenylethanol
CID 143785167

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
The IUPAC name of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol (CID 130126841) is 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol is CC1(C)C(CCO)=C1c1ccccc1.
What is the InChIKey of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
The InChIKey is CBUANKGXNSCQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)11(8-9-14)12(13)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol has a molecular weight of 188.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol is sourced from PubChem (CID 130126841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).