butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene

C21H42O3 — CID 143366244

IUPACbutane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene
SMILESC=CC.CC.CC.CCCC.COc1cc(C(C)OC)ccc1O
InChIInChI=1S/C10H14O3.C4H10.C3H6.2C2H6/c1-7(12-2)8-4-5-9(11)10(6-8)13-3;1-3-4-2;1-3-2;2*1-2/h4-7,11H,1-3H3;3-4H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyYHBUGWYZBLSIES-UHFFFAOYSA-N
MW342.56 g/mol
LogP7.16
Rot. Bonds4

About butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene

butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene (PubChem CID 143366244) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene.

Molecular Properties

Compound Namebutane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene
PubChem CID143366244
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Namebutane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene
SMILESC=CC.CC.CC.CCCC.COc1cc(C(C)OC)ccc1O
InChIInChI=1S/C10H14O3.C4H10.C3H6.2C2H6/c1-7(12-2)8-4-5-9(11)10(6-8)13-3;1-3-4-2;1-3-2;2*1-2/h4-7,11H,1-3H3;3-4H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyYHBUGWYZBLSIES-UHFFFAOYSA-N
XLogP7.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene?
The IUPAC name of butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene (CID 143366244) is butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene.
What is the SMILES notation for butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene?
The canonical SMILES for butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene is C=CC.CC.CC.CCCC.COc1cc(C(C)OC)ccc1O.
What is the InChIKey of butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene?
The InChIKey is YHBUGWYZBLSIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C4H10.C3H6.2C2H6/c1-7(12-2)8-4-5-9(11)10(6-8)13-3;1-3-4-2;1-3-2;2*1-2/h4-7,11H,1-3H3;3-4H2,1-2H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene?
butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene has a molecular weight of 342.56 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methoxy-4-(1-methoxyethyl)phenol;prop-1-ene is sourced from PubChem (CID 143366244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).