2-benzyloctoxymethylbenzene

C22H30O — CID 134979791

IUPAC2-benzyloctoxymethylbenzene
SMILESCCCCCCC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H30O/c1-2-3-4-7-16-22(17-20-12-8-5-9-13-20)19-23-18-21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3
InChIKeyJYZPJDGJWBEDII-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.03
Rot. Bonds11

About 2-benzyloctoxymethylbenzene

2-benzyloctoxymethylbenzene (PubChem CID 134979791) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-benzyloctoxymethylbenzene.

Molecular Properties

Compound Name2-benzyloctoxymethylbenzene
PubChem CID134979791
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-benzyloctoxymethylbenzene
SMILESCCCCCCC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H30O/c1-2-3-4-7-16-22(17-20-12-8-5-9-13-20)19-23-18-21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3
InChIKeyJYZPJDGJWBEDII-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyltetradecylbenzene
CID 22920205
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
2-benzyloctadecan-1-ol
CID 67814123
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
2-benzyl-N-methyldecan-1-amine
CID 63498488
6-benzyldecylbenzene
CID 54156815
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
(3R)-3-(octadecoxymethyl)-4-phenylmethoxybutanal
CID 163435782

Frequently Asked Questions

What is the IUPAC name of 2-benzyloctoxymethylbenzene?
The IUPAC name of 2-benzyloctoxymethylbenzene (CID 134979791) is 2-benzyloctoxymethylbenzene.
What is the SMILES notation for 2-benzyloctoxymethylbenzene?
The canonical SMILES for 2-benzyloctoxymethylbenzene is CCCCCCC(COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyloctoxymethylbenzene?
The InChIKey is JYZPJDGJWBEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-2-3-4-7-16-22(17-20-12-8-5-9-13-20)19-23-18-21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3.
What are the key properties of 2-benzyloctoxymethylbenzene?
2-benzyloctoxymethylbenzene has a molecular weight of 310.48 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyloctoxymethylbenzene is sourced from PubChem (CID 134979791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).