2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene

C32H30O2 — CID 23450424

IUPAC2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene
SMILESCc1cc2c(OC(C)c3ccccc3)c3ccccc3c(OC(C)c3ccccc3)c2cc1C
InChIInChI=1S/C32H30O2/c1-21-19-29-30(20-22(21)2)32(34-24(4)26-15-9-6-10-16-26)28-18-12-11-17-27(28)31(29)33-23(3)25-13-7-5-8-14-25/h5-20,23-24H,1-4H3
InChIKeyRFPMZFKJDRYVHF-UHFFFAOYSA-N
MW446.59 g/mol
LogP8.89
Rot. Bonds6

About 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene

2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene (PubChem CID 23450424) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene.

Molecular Properties

Compound Name2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene
PubChem CID23450424
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene
SMILESCc1cc2c(OC(C)c3ccccc3)c3ccccc3c(OC(C)c3ccccc3)c2cc1C
InChIInChI=1S/C32H30O2/c1-21-19-29-30(20-22(21)2)32(34-24(4)26-15-9-6-10-16-26)28-18-12-11-17-27(28)31(29)33-23(3)25-13-7-5-8-14-25/h5-20,23-24H,1-4H3
InChIKeyRFPMZFKJDRYVHF-UHFFFAOYSA-N
XLogP8.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(1-phenylethoxy)cyclobut-3-ene-1,2-dione
CID 18352407
3-methyl-2-(1-phenylethoxy)aniline
CID 115550879
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
4-chloro-5-fluoro-6-(1-phenylethoxy)benzene-1,3-diamine
CID 103553678
2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine
CID 115962662
N-[[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]methyl]ethanamine
CID 115961171
1-(1-phenylethoxy)anthracene
CID 87845539
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
1-[1-(1-phenylethoxy)naphthalen-2-yl]ethanone
CID 143253129
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene?
The IUPAC name of 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene (CID 23450424) is 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene.
What is the SMILES notation for 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene?
The canonical SMILES for 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene is Cc1cc2c(OC(C)c3ccccc3)c3ccccc3c(OC(C)c3ccccc3)c2cc1C.
What is the InChIKey of 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene?
The InChIKey is RFPMZFKJDRYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O2/c1-21-19-29-30(20-22(21)2)32(34-24(4)26-15-9-6-10-16-26)28-18-12-11-17-27(28)31(29)33-23(3)25-13-7-5-8-14-25/h5-20,23-24H,1-4H3.
What are the key properties of 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene?
2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene has a molecular weight of 446.59 g/mol, XLogP of 8.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene is sourced from PubChem (CID 23450424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).