2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol

C14H18O — CID 570712

IUPAC2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
SMILESCC1=CCC(O)(c2ccccc2)C1(C)C
InChIInChI=1S/C14H18O/c1-11-9-10-14(15,13(11,2)3)12-7-5-4-6-8-12/h4-9,15H,10H2,1-3H3
InChIKeyONHIQDRLDCGKCD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.25
Rot. Bonds1

About 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol

2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol (PubChem CID 570712) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
PubChem CID570712
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
SMILESCC1=CCC(O)(c2ccccc2)C1(C)C
InChIInChI=1S/C14H18O/c1-11-9-10-14(15,13(11,2)3)12-7-5-4-6-8-12/h4-9,15H,10H2,1-3H3
InChIKeyONHIQDRLDCGKCD-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.25
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

(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
CID 10987365
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
CID 10967455
(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-ol
CID 766368
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
CID 6944225

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol?
The IUPAC name of 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol (CID 570712) is 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol.
What is the SMILES notation for 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol?
The canonical SMILES for 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol is CC1=CCC(O)(c2ccccc2)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol?
The InChIKey is ONHIQDRLDCGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-9-10-14(15,13(11,2)3)12-7-5-4-6-8-12/h4-9,15H,10H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol?
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol is sourced from PubChem (CID 570712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).