ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene

C15H26O2 — CID 171097729

IUPACethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
SMILESC=O.CC.CC[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C12H18O.C2H6.CH2O/c1-4-10(2)9-11-5-7-12(13-3)8-6-11;2*1-2/h5-8,10H,4,9H2,1-3H3;1-2H3;1H2/t10-;;/m0../s1
InChIKeyZQRNGPNBONAFSD-XRIOVQLTSA-N
MW238.37 g/mol
LogP4.13
Rot. Bonds4

About ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene

ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene (PubChem CID 171097729) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene.

Molecular Properties

Compound Nameethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
PubChem CID171097729
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
SMILESC=O.CC.CC[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C12H18O.C2H6.CH2O/c1-4-10(2)9-11-5-7-12(13-3)8-6-11;2*1-2/h5-8,10H,4,9H2,1-3H3;1-2H3;1H2/t10-;;/m0../s1
InChIKeyZQRNGPNBONAFSD-XRIOVQLTSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
CID 101070141
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
1-(4-methoxyphenyl)-2-methylheptan-4-one
CID 83932106
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
1-methoxy-4-(2-nitrobutyl)benzene
CID 121217488
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene?
The IUPAC name of ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene (CID 171097729) is ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene.
What is the SMILES notation for ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene?
The canonical SMILES for ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene is C=O.CC.CC[C@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene?
The InChIKey is ZQRNGPNBONAFSD-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H18O.C2H6.CH2O/c1-4-10(2)9-11-5-7-12(13-3)8-6-11;2*1-2/h5-8,10H,4,9H2,1-3H3;1-2H3;1H2/t10-;;/m0../s1.
What are the key properties of ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene?
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene has a molecular weight of 238.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene is sourced from PubChem (CID 171097729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).