1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene

C17H24O2 — CID 175893190

IUPAC1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
SMILESC#Cc1ccc(OC[C@H](CC)CCCC)c(OC)c1
InChIInChI=1S/C17H24O2/c1-5-8-9-15(7-3)13-19-16-11-10-14(6-2)12-17(16)18-4/h2,10-12,15H,5,7-9,13H2,1,3-4H3/t15-/m1/s1
InChIKeyYWOCBCAZXNDABF-OAHLLOKOSA-N
MW260.38 g/mol
LogP4.27
Rot. Bonds8

About 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene

1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene (PubChem CID 175893190) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene.

Molecular Properties

Compound Name1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
PubChem CID175893190
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
SMILESC#Cc1ccc(OC[C@H](CC)CCCC)c(OC)c1
InChIInChI=1S/C17H24O2/c1-5-8-9-15(7-3)13-19-16-11-10-14(6-2)12-17(16)18-4/h2,10-12,15H,5,7-9,13H2,1,3-4H3/t15-/m1/s1
InChIKeyYWOCBCAZXNDABF-OAHLLOKOSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylhexoxy)-6-ethynylnaphthalene
CID 102147077
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 76917560
3-bromo-4-(2-ethylhexoxy)benzonitrile
CID 82797324
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1-[2-[2,5-bis(2-ethylhexoxy)phenyl]ethynyl]-4-ethynyl-2,5-dihexadecoxybenzene
CID 102237958
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene?
The IUPAC name of 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene (CID 175893190) is 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene.
What is the SMILES notation for 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene?
The canonical SMILES for 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene is C#Cc1ccc(OC[C@H](CC)CCCC)c(OC)c1.
What is the InChIKey of 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene?
The InChIKey is YWOCBCAZXNDABF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-8-9-15(7-3)13-19-16-11-10-14(6-2)12-17(16)18-4/h2,10-12,15H,5,7-9,13H2,1,3-4H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene?
1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene has a molecular weight of 260.38 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene is sourced from PubChem (CID 175893190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).