2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol

C30H26O2 — CID 151136569

IUPAC2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
SMILESCCc1cc(-c2c3ccccc3c(-c3ccc(O)c(CC)c3)c3ccccc23)ccc1O
InChIInChI=1S/C30H26O2/c1-3-19-17-21(13-15-27(19)31)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)22-14-16-28(32)20(4-2)18-22/h5-18,31-32H,3-4H2,1-2H3
InChIKeyMVIBMQOBUYBBSR-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.86
Rot. Bonds4

About 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol

2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol (PubChem CID 151136569) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol.

Molecular Properties

Compound Name2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
PubChem CID151136569
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol
SMILESCCc1cc(-c2c3ccccc3c(-c3ccc(O)c(CC)c3)c3ccccc23)ccc1O
InChIInChI=1S/C30H26O2/c1-3-19-17-21(13-15-27(19)31)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)22-14-16-28(32)20(4-2)18-22/h5-18,31-32H,3-4H2,1-2H3
InChIKeyMVIBMQOBUYBBSR-UHFFFAOYSA-N
XLogP7.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 141135954
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
CID 71422766
3-(3,4-diethylphenyl)-4-ethylbenzene-1,2-diol
CID 101302818
4-(2,6-diethylphenyl)-2-methylphenol
CID 154385947
benzene;2-ethylphenol
CID 159726745
2-ethylnaphthalene-1,4-diol
CID 13077288
2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol
CID 68961421
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
4-(3,6-diethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303274
magnesium;2-ethylphenol;chloride
CID 173391731
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
CID 11047500

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol?
The IUPAC name of 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol (CID 151136569) is 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol.
What is the SMILES notation for 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol?
The canonical SMILES for 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol is CCc1cc(-c2c3ccccc3c(-c3ccc(O)c(CC)c3)c3ccccc23)ccc1O.
What is the InChIKey of 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol?
The InChIKey is MVIBMQOBUYBBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-3-19-17-21(13-15-27(19)31)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)22-14-16-28(32)20(4-2)18-22/h5-18,31-32H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol?
2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol has a molecular weight of 418.54 g/mol, XLogP of 7.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[10-(3-ethyl-4-hydroxyphenyl)anthracen-9-yl]phenol is sourced from PubChem (CID 151136569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).