9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene

C23H20O — CID 135013446

IUPAC9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene
SMILESCOCc1c(-c2ccccc2C)c2ccccc2c2ccccc12
InChIInChI=1S/C23H20O/c1-16-9-3-4-10-17(16)23-21-14-8-7-12-19(21)18-11-5-6-13-20(18)22(23)15-24-2/h3-14H,15H2,1-2H3
InChIKeyBHLRLSPNTKPUFI-UHFFFAOYSA-N
MW312.41 g/mol
LogP6.11
Rot. Bonds3

About 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene

9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene (PubChem CID 135013446) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene
PubChem CID135013446
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene
SMILESCOCc1c(-c2ccccc2C)c2ccccc2c2ccccc12
InChIInChI=1S/C23H20O/c1-16-9-3-4-10-17(16)23-21-14-8-7-12-19(21)18-11-5-6-13-20(18)22(23)15-24-2/h3-14H,15H2,1-2H3
InChIKeyBHLRLSPNTKPUFI-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 56.11
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

9-(methoxymethyl)-10-methylanthracene
CID 12579234
10-(methoxymethyl)anthracen-9-ol
CID 58645182
1-methoxy-4-(methoxymethyl)-2,3-dimethylnaphthalene
CID 90738504
1-[5,6-bis(methoxymethyl)-7-naphthalen-1-yl-2,3-dihydro-1H-inden-4-yl]naphthalene
CID 102073038
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
9-(2-methylphenyl)-10-phenylsulfanylphenanthrene
CID 71560393
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene?
The IUPAC name of 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene (CID 135013446) is 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene.
What is the SMILES notation for 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene?
The canonical SMILES for 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene is COCc1c(-c2ccccc2C)c2ccccc2c2ccccc12.
What is the InChIKey of 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene?
The InChIKey is BHLRLSPNTKPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-16-9-3-4-10-17(16)23-21-14-8-7-12-19(21)18-11-5-6-13-20(18)22(23)15-24-2/h3-14H,15H2,1-2H3.
What are the key properties of 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene?
9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene has a molecular weight of 312.41 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-10-(2-methylphenyl)phenanthrene is sourced from PubChem (CID 135013446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).