1-heptoxy-2,3-diphenylbenzene

C25H28O — CID 91223664

IUPAC1-heptoxy-2,3-diphenylbenzene
SMILESCCCCCCCOc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H28O/c1-2-3-4-5-12-20-26-24-19-13-18-23(21-14-8-6-9-15-21)25(24)22-16-10-7-11-17-22/h6-11,13-19H,2-5,12,20H2,1H3
InChIKeyCGFZYWBPKABMLL-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.37
Rot. Bonds9

About 1-heptoxy-2,3-diphenylbenzene

1-heptoxy-2,3-diphenylbenzene (PubChem CID 91223664) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-heptoxy-2,3-diphenylbenzene.

Molecular Properties

Compound Name1-heptoxy-2,3-diphenylbenzene
PubChem CID91223664
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name1-heptoxy-2,3-diphenylbenzene
SMILESCCCCCCCOc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H28O/c1-2-3-4-5-12-20-26-24-19-13-18-23(21-14-8-6-9-15-21)25(24)22-16-10-7-11-17-22/h6-11,13-19H,2-5,12,20H2,1H3
InChIKeyCGFZYWBPKABMLL-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.37
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-octadecoxy-2-phenylbenzene
CID 70983974
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
3-hexoxy-N,N,2-triphenylaniline
CID 174676393
2-decoxy-6-phenylbenzonitrile
CID 70475656
2-phenyl-3-tridecoxybenzoic acid
CID 70434237
2,3,7,10-tetrahexoxy-6,11-diphenyltriphenylene
CID 132990475
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
2-decoxy-6-phenylbenzoyl chloride
CID 54019687
9-(2-phenyl-3-undecoxyphenoxy)nonane-1-sulfonic acid
CID 139975240
10-(3-heptoxy-2-phenylphenoxy)decane-1-sulfonic acid
CID 139975263
1-(chloromethoxy)-2,3-diphenylbenzene
CID 89147596

Frequently Asked Questions

What is the IUPAC name of 1-heptoxy-2,3-diphenylbenzene?
The IUPAC name of 1-heptoxy-2,3-diphenylbenzene (CID 91223664) is 1-heptoxy-2,3-diphenylbenzene.
What is the SMILES notation for 1-heptoxy-2,3-diphenylbenzene?
The canonical SMILES for 1-heptoxy-2,3-diphenylbenzene is CCCCCCCOc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-heptoxy-2,3-diphenylbenzene?
The InChIKey is CGFZYWBPKABMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-2-3-4-5-12-20-26-24-19-13-18-23(21-14-8-6-9-15-21)25(24)22-16-10-7-11-17-22/h6-11,13-19H,2-5,12,20H2,1H3.
What are the key properties of 1-heptoxy-2,3-diphenylbenzene?
1-heptoxy-2,3-diphenylbenzene has a molecular weight of 344.50 g/mol, XLogP of 7.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptoxy-2,3-diphenylbenzene is sourced from PubChem (CID 91223664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).