1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol

C16H20O — CID 126847550

IUPAC1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol
SMILESCCc1ccc(C#CCC2(O)CCCC2)cc1
InChIInChI=1S/C16H20O/c1-2-14-7-9-15(10-8-14)6-5-13-16(17)11-3-4-12-16/h7-10,17H,2-4,11-13H2,1H3
InChIKeySQDGZYYONKAFOR-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.30
Rot. Bonds2

About 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol

1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol (PubChem CID 126847550) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol
PubChem CID126847550
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol
SMILESCCc1ccc(C#CCC2(O)CCCC2)cc1
InChIInChI=1S/C16H20O/c1-2-14-7-9-15(10-8-14)6-5-13-16(17)11-3-4-12-16/h7-10,17H,2-4,11-13H2,1H3
InChIKeySQDGZYYONKAFOR-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.30
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-[3-(4-bromophenyl)prop-2-ynyl]cyclopentan-1-ol
CID 126847551
1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol
CID 130055746
1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
CID 65108630
1-[2-(4-butylphenyl)ethynyl]cyclopentan-1-ol
CID 146002790
methyl 4-(4-ethylphenyl)but-3-ynoate
CID 170469002
1-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79740505
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
4-(4-ethylphenyl)oxan-4-ol
CID 63222829
(4-hex-1-ynylphenyl)methanol
CID 101212882
1-bromo-4-ethylbenzene;but-3-yn-1-ol;bis(carbon dioxide);4-(4-ethylphenyl)but-3-yn-1-ol
CID 167689129
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol?
The IUPAC name of 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol (CID 126847550) is 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol is CCc1ccc(C#CCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol?
The InChIKey is SQDGZYYONKAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-14-7-9-15(10-8-14)6-5-13-16(17)11-3-4-12-16/h7-10,17H,2-4,11-13H2,1H3.
What are the key properties of 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol?
1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)prop-2-ynyl]cyclopentan-1-ol is sourced from PubChem (CID 126847550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).