1-methoxy-4-(undec-8-ynoxymethyl)benzene

C19H28O2 — CID 118084775

IUPAC1-methoxy-4-(undec-8-ynoxymethyl)benzene
SMILESCCC#CCCCCCCCOCc1ccc(OC)cc1
InChIInChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-16-21-17-18-12-14-19(20-2)15-13-18/h12-15H,3,6-11,16-17H2,1-2H3
InChIKeyYPLQPHIHCFQENE-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.97
Rot. Bonds10

About 1-methoxy-4-(undec-8-ynoxymethyl)benzene

1-methoxy-4-(undec-8-ynoxymethyl)benzene (PubChem CID 118084775) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-methoxy-4-(undec-8-ynoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(undec-8-ynoxymethyl)benzene
PubChem CID118084775
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-methoxy-4-(undec-8-ynoxymethyl)benzene
SMILESCCC#CCCCCCCCOCc1ccc(OC)cc1
InChIInChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-16-21-17-18-12-14-19(20-2)15-13-18/h12-15H,3,6-11,16-17H2,1-2H3
InChIKeyYPLQPHIHCFQENE-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
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

6-[(4-methoxyphenyl)methoxy]hex-2-yn-1-ol
CID 11230051
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methoxy-4-(2-pentadec-14-ynoxyethoxymethyl)benzene
CID 162744243
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
(3S)-1-[(4-methoxyphenyl)methoxy]dodec-5-yn-3-ol
CID 66561845
hexadec-11-ynoxymethylbenzene
CID 134976298
icos-13-ynoxymethylbenzene
CID 134976299
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
4-[(4-methoxyphenyl)methoxy]butoxy thiohypoiodite
CID 170713872
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(undec-8-ynoxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(undec-8-ynoxymethyl)benzene (CID 118084775) is 1-methoxy-4-(undec-8-ynoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(undec-8-ynoxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(undec-8-ynoxymethyl)benzene is CCC#CCCCCCCCOCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-(undec-8-ynoxymethyl)benzene?
The InChIKey is YPLQPHIHCFQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-16-21-17-18-12-14-19(20-2)15-13-18/h12-15H,3,6-11,16-17H2,1-2H3.
What are the key properties of 1-methoxy-4-(undec-8-ynoxymethyl)benzene?
1-methoxy-4-(undec-8-ynoxymethyl)benzene has a molecular weight of 288.43 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(undec-8-ynoxymethyl)benzene is sourced from PubChem (CID 118084775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).