1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol

C15H18O — CID 130055746

IUPAC1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol
SMILESCCc1ccc(C#CC2(O)CCCC2)cc1
InChIInChI=1S/C15H18O/c1-2-13-5-7-14(8-6-13)9-12-15(16)10-3-4-11-15/h5-8,16H,2-4,10-11H2,1H3
InChIKeyLGLXNOIATSSLGU-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.91
Rot. Bonds1

About 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol

1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol (PubChem CID 130055746) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol
PubChem CID130055746
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol
SMILESCCc1ccc(C#CC2(O)CCCC2)cc1
InChIInChI=1S/C15H18O/c1-2-13-5-7-14(8-6-13)9-12-15(16)10-3-4-11-15/h5-8,16H,2-4,10-11H2,1H3
InChIKeyLGLXNOIATSSLGU-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-butylphenyl)ethynyl]cyclopentan-1-ol
CID 146002790
1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol
CID 126847550
1-[2-(4-propan-2-ylphenyl)ethynyl]cyclohexan-1-ol
CID 45276566
1-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclobutan-1-ol
CID 163274338
1-[2-(3-chloro-4-methylphenyl)ethynyl]cyclopentan-1-ol
CID 146002942
1-[2-(2-methyl-4-propylphenyl)ethynyl]cyclohexan-1-ol
CID 143366321
1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol
CID 24795543
1-ethyl-4-(2-phenylethynyl)piperidin-4-ol
CID 2729868
1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
CID 10398004
1-[(4-ethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65378669
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol (CID 130055746) is 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol is CCc1ccc(C#CC2(O)CCCC2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol?
The InChIKey is LGLXNOIATSSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-13-5-7-14(8-6-13)9-12-15(16)10-3-4-11-15/h5-8,16H,2-4,10-11H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol?
1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol is sourced from PubChem (CID 130055746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).