1-ethoxy-3-[(4-nonylphenyl)methyl]benzene

C24H34O — CID 160903044

IUPAC1-ethoxy-3-[(4-nonylphenyl)methyl]benzene
SMILESCCCCCCCCCc1ccc(Cc2cccc(OCC)c2)cc1
InChIInChI=1S/C24H34O/c1-3-5-6-7-8-9-10-12-21-15-17-22(18-16-21)19-23-13-11-14-24(20-23)25-4-2/h11,13-18,20H,3-10,12,19H2,1-2H3
InChIKeyJWKJEHXLDVKCQM-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.97
Rot. Bonds12

About 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene

1-ethoxy-3-[(4-nonylphenyl)methyl]benzene (PubChem CID 160903044) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-ethoxy-3-[(4-nonylphenyl)methyl]benzene
PubChem CID160903044
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-ethoxy-3-[(4-nonylphenyl)methyl]benzene
SMILESCCCCCCCCCc1ccc(Cc2cccc(OCC)c2)cc1
InChIInChI=1S/C24H34O/c1-3-5-6-7-8-9-10-12-21-15-17-22(18-16-21)19-23-13-11-14-24(20-23)25-4-2/h11,13-18,20H,3-10,12,19H2,1-2H3
InChIKeyJWKJEHXLDVKCQM-UHFFFAOYSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.97
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

1,3-bis[(4-dodecylphenyl)methyl]benzene
CID 58298682
1-benzyl-3-pentadecylbenzene
CID 173121378
1-methoxy-3-nonadecylbenzene
CID 154507578
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
1,3-di(tetradecyl)benzene
CID 91053224
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-benzyl-3,5-dioctylbenzene
CID 22920470
azane;1-ethoxy-3-pentoxybenzene
CID 68858003

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene?
The IUPAC name of 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene (CID 160903044) is 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene.
What is the SMILES notation for 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene?
The canonical SMILES for 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene is CCCCCCCCCc1ccc(Cc2cccc(OCC)c2)cc1.
What is the InChIKey of 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene?
The InChIKey is JWKJEHXLDVKCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-3-5-6-7-8-9-10-12-21-15-17-22(18-16-21)19-23-13-11-14-24(20-23)25-4-2/h11,13-18,20H,3-10,12,19H2,1-2H3.
What are the key properties of 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene?
1-ethoxy-3-[(4-nonylphenyl)methyl]benzene has a molecular weight of 338.54 g/mol, XLogP of 6.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(4-nonylphenyl)methyl]benzene is sourced from PubChem (CID 160903044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).