1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol

C14H18O2 — CID 104808218

IUPAC1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol
SMILESCC#CCCOc1ccc(C)cc1C(C)O
InChIInChI=1S/C14H18O2/c1-4-5-6-9-16-14-8-7-11(2)10-13(14)12(3)15/h7-8,10,12,15H,6,9H2,1-3H3
InChIKeyFNCPVNYOJCCSNK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol

1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol (PubChem CID 104808218) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol
PubChem CID104808218
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol
SMILESCC#CCCOc1ccc(C)cc1C(C)O
InChIInChI=1S/C14H18O2/c1-4-5-6-9-16-14-8-7-11(2)10-13(14)12(3)15/h7-8,10,12,15H,6,9H2,1-3H3
InChIKeyFNCPVNYOJCCSNK-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
1-(2-but-2-ynoxy-5-methylphenyl)ethanol
CID 62311951
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1S)-1-(4-fluoro-2-pent-3-ynoxyphenyl)ethanol
CID 104808272
(1S)-1-(3-methoxy-4-pent-3-ynoxyphenyl)ethanol
CID 104808249
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol?
The IUPAC name of 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol (CID 104808218) is 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol?
The canonical SMILES for 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol is CC#CCCOc1ccc(C)cc1C(C)O.
What is the InChIKey of 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol?
The InChIKey is FNCPVNYOJCCSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-5-6-9-16-14-8-7-11(2)10-13(14)12(3)15/h7-8,10,12,15H,6,9H2,1-3H3.
What are the key properties of 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol?
1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol is sourced from PubChem (CID 104808218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).