1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene

C20H34O2 — CID 143299970

IUPAC1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene
SMILESC=C(C)CC.CC.CC=C(O)c1ccc(OCCCC)cc1
InChIInChI=1S/C13H18O2.C5H10.C2H6/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2;1-4-5(2)3;1-2/h4,6-9,14H,3,5,10H2,1-2H3;2,4H2,1,3H3;1-2H3
InChIKeyGIGNICHVAOSQOS-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.78
Rot. Bonds6

About 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene

1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene (PubChem CID 143299970) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene.

Molecular Properties

Compound Name1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene
PubChem CID143299970
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene
SMILESC=C(C)CC.CC.CC=C(O)c1ccc(OCCCC)cc1
InChIInChI=1S/C13H18O2.C5H10.C2H6/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2;1-4-5(2)3;1-2/h4,6-9,14H,3,5,10H2,1-2H3;2,4H2,1,3H3;1-2H3
InChIKeyGIGNICHVAOSQOS-UHFFFAOYSA-N
XLogP6.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
ethane;4-octoxybenzoic acid
CID 144740890
1-(2-methylprop-2-enyl)-4-pentoxybenzene
CID 146002705
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
1-butoxy-4-[3-(4-butoxyphenyl)but-3-en-1-ynyl]benzene
CID 102225390
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
acetic acid;butoxybenzene
CID 162338086
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-butoxy-4-(4,4,4-trichlorobut-1-en-2-yl)benzene
CID 71373306
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene?
The IUPAC name of 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene (CID 143299970) is 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene.
What is the SMILES notation for 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene?
The canonical SMILES for 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene is C=C(C)CC.CC.CC=C(O)c1ccc(OCCCC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene?
The InChIKey is GIGNICHVAOSQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C5H10.C2H6/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2;1-4-5(2)3;1-2/h4,6-9,14H,3,5,10H2,1-2H3;2,4H2,1,3H3;1-2H3.
What are the key properties of 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene?
1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene has a molecular weight of 306.49 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene is sourced from PubChem (CID 143299970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).