9-(4-methoxyphenyl)-3,5-dimethylphenanthrene

C23H20O — CID 132819280

IUPAC9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
SMILESCOc1ccc(-c2cc3ccc(C)cc3c3c(C)cccc23)cc1
InChIInChI=1S/C23H20O/c1-15-7-8-18-14-21(17-9-11-19(24-3)12-10-17)20-6-4-5-16(2)23(20)22(18)13-15/h4-14H,1-3H3
InChIKeyUDKOOYBMTOROFC-UHFFFAOYSA-N
MW312.41 g/mol
LogP6.29
Rot. Bonds2

About 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene

9-(4-methoxyphenyl)-3,5-dimethylphenanthrene (PubChem CID 132819280) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
PubChem CID132819280
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
SMILESCOc1ccc(-c2cc3ccc(C)cc3c3c(C)cccc23)cc1
InChIInChI=1S/C23H20O/c1-15-7-8-18-14-21(17-9-11-19(24-3)12-10-17)20-6-4-5-16(2)23(20)22(18)13-15/h4-14H,1-3H3
InChIKeyUDKOOYBMTOROFC-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-9-phenylphenanthrene
CID 132535300
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
17-(4-methoxyphenyl)-35-(4-methylphenyl)-6,24-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.022,34.023,31.025,30]hexatriaconta-1,3,5(13),7,9,11,14,16,18,20,22(34),23(31),25,27,29,32,35-heptadecaene
CID 89416899
1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261
1-methoxy-2-(4-methoxyphenyl)pyrene
CID 174574739
7,12-bis(4-methoxyphenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142914
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
4-deuterio-10-(4-methoxyphenyl)phenanthrene
CID 135034400
1,6-bis(4-methoxyphenyl)-3-methyl-4,5-dihydropyrene
CID 89207555

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene?
The IUPAC name of 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene (CID 132819280) is 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene.
What is the SMILES notation for 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene?
The canonical SMILES for 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene is COc1ccc(-c2cc3ccc(C)cc3c3c(C)cccc23)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene?
The InChIKey is UDKOOYBMTOROFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-15-7-8-18-14-21(17-9-11-19(24-3)12-10-17)20-6-4-5-16(2)23(20)22(18)13-15/h4-14H,1-3H3.
What are the key properties of 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene?
9-(4-methoxyphenyl)-3,5-dimethylphenanthrene has a molecular weight of 312.41 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-3,5-dimethylphenanthrene is sourced from PubChem (CID 132819280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).