butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene

C19H34O2 — CID 142022793

IUPACbutane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene
SMILESC=CC.CCCC.CCO[C@@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C12H18O2.C4H10.C3H6/c1-4-14-10(2)9-11-5-7-12(13-3)8-6-11;1-3-4-2;1-3-2/h5-8,10H,4,9H2,1-3H3;3-4H2,1-2H3;3H,1H2,2H3/t10-;;/m0../s1
InChIKeyNKUCZTASRHOCDK-XRIOVQLTSA-N
MW294.48 g/mol
LogP5.66
Rot. Bonds6

About butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene

butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene (PubChem CID 142022793) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene.

Molecular Properties

Compound Namebutane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene
PubChem CID142022793
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Namebutane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene
SMILESC=CC.CCCC.CCO[C@@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C12H18O2.C4H10.C3H6/c1-4-14-10(2)9-11-5-7-12(13-3)8-6-11;1-3-4-2;1-3-2/h5-8,10H,4,9H2,1-3H3;3-4H2,1-2H3;3H,1H2,2H3/t10-;;/m0../s1
InChIKeyNKUCZTASRHOCDK-XRIOVQLTSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
CID 86103111
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
1-(2,3-diethoxy-3-methoxypropyl)-4-methoxybenzene
CID 19891142
1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde
CID 87373658
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
1-(2-chloro-4-methylpentyl)-4-methoxybenzene
CID 63017578

Frequently Asked Questions

What is the IUPAC name of butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene?
The IUPAC name of butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene (CID 142022793) is butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene.
What is the SMILES notation for butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene?
The canonical SMILES for butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene is C=CC.CCCC.CCO[C@@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene?
The InChIKey is NKUCZTASRHOCDK-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H18O2.C4H10.C3H6/c1-4-14-10(2)9-11-5-7-12(13-3)8-6-11;1-3-4-2;1-3-2/h5-8,10H,4,9H2,1-3H3;3-4H2,1-2H3;3H,1H2,2H3/t10-;;/m0../s1.
What are the key properties of butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene?
butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene has a molecular weight of 294.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene is sourced from PubChem (CID 142022793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).