6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol

C14H18O3 — CID 11230051

IUPAC6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
SMILESCOc1ccc(COCCCC#CCO)cc1
InChIInChI=1S/C14H18O3/c1-16-14-8-6-13(7-9-14)12-17-11-5-3-2-4-10-15/h6-9,15H,3,5,10-12H2,1H3
InChIKeyNNBMCSFSSVKIPR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.99
Rot. Bonds6

About 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol

6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol (PubChem CID 11230051) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
PubChem CID11230051
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
SMILESCOc1ccc(COCCCC#CCO)cc1
InChIInChI=1S/C14H18O3/c1-16-14-8-6-13(7-9-14)12-17-11-5-3-2-4-10-15/h6-9,15H,3,5,10-12H2,1H3
InChIKeyNNBMCSFSSVKIPR-UHFFFAOYSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 10894444
(3S)-1-[(4-methoxyphenyl)methoxy]dodec-5-yn-3-ol
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1-methoxy-4-(2-pentadec-14-ynoxyethoxymethyl)benzene
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oct-4-ynoxymethylbenzene
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(4S,5R)-6-[(4-methoxyphenyl)methoxy]-4-methylhex-2-yne-1,5-diol
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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol (CID 11230051) is 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol is COc1ccc(COCCCC#CCO)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol?
The InChIKey is NNBMCSFSSVKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-14-8-6-13(7-9-14)12-17-11-5-3-2-4-10-15/h6-9,15H,3,5,10-12H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol?
6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol is sourced from PubChem (CID 11230051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).