1-(diethoxymethyl)-4-(4-heptylphenyl)benzene

C24H34O2 — CID 146004754

IUPAC1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(C(OCC)OCC)cc2)cc1
InChIInChI=1S/C24H34O2/c1-4-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(25-5-2)26-6-3/h12-19,24H,4-11H2,1-3H3
InChIKeySRZFSNUZUWSJFF-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.94
Rot. Bonds12

About 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene

1-(diethoxymethyl)-4-(4-heptylphenyl)benzene (PubChem CID 146004754) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
PubChem CID146004754
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
SMILESCCCCCCCc1ccc(-c2ccc(C(OCC)OCC)cc2)cc1
InChIInChI=1S/C24H34O2/c1-4-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(25-5-2)26-6-3/h12-19,24H,4-11H2,1-3H3
InChIKeySRZFSNUZUWSJFF-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-nonylbenzene
CID 59545302
1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
CID 67327609
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-octadecylphenyl)benzenethiol
CID 134936183
bis(4-tridecylphenyl)methanol
CID 139673626
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene?
The IUPAC name of 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene (CID 146004754) is 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene.
What is the SMILES notation for 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene?
The canonical SMILES for 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene is CCCCCCCc1ccc(-c2ccc(C(OCC)OCC)cc2)cc1.
What is the InChIKey of 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene?
The InChIKey is SRZFSNUZUWSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-4-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(25-5-2)26-6-3/h12-19,24H,4-11H2,1-3H3.
What are the key properties of 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene?
1-(diethoxymethyl)-4-(4-heptylphenyl)benzene has a molecular weight of 354.53 g/mol, XLogP of 6.94, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-(4-heptylphenyl)benzene is sourced from PubChem (CID 146004754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).