9-(phenoxymethyl)phenanthrene

C21H16O — CID 10265899

IUPAC9-(phenoxymethyl)phenanthrene
SMILESc1ccc(OCc2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C21H16O/c1-2-9-18(10-3-1)22-15-17-14-16-8-4-5-11-19(16)21-13-7-6-12-20(17)21/h1-14H,15H2
InChIKeyLAEZBMBMTLPKJU-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.57
Rot. Bonds3

About 9-(phenoxymethyl)phenanthrene

9-(phenoxymethyl)phenanthrene (PubChem CID 10265899) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-(phenoxymethyl)phenanthrene.

Molecular Properties

Compound Name9-(phenoxymethyl)phenanthrene
PubChem CID10265899
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name9-(phenoxymethyl)phenanthrene
SMILESc1ccc(OCc2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C21H16O/c1-2-9-18(10-3-1)22-15-17-14-16-8-4-5-11-19(16)21-13-7-6-12-20(17)21/h1-14H,15H2
InChIKeyLAEZBMBMTLPKJU-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.57
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

1-(phenoxymethyl)naphthalene
CID 588110
1-(phenoxymethyl)anthracene
CID 18517350
9-(methoxymethyl)phenanthrene
CID 15557052
10,29-bis(phenoxymethyl)-12,15,18,21,24,27-hexaoxapentacyclo[26.8.0.02,11.03,8.031,36]hexatriaconta-1(28),2(11),3,5,7,9,29,31,33,35-decaene
CID 3305730
2,3,7,8-tetrakis(phenoxymethyl)phenazine
CID 15048480
bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]sulfanium;trifluoromethanesulfonate
CID 171924546
1-ethenyl-4-(phenoxymethyl)naphthalene
CID 22172419
4-(naphthalen-1-ylmethoxy)-N-phenylaniline
CID 145256438
phenanthren-9-ylmethylhydrazine
CID 53432355
2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
phenol;4-(phenoxymethyl)chromen-2-one
CID 158794663
tert-butyl 2-[4-[(4-methylphenyl)sulfonyloxy-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-λ4-sulfanyl]phenoxy]acetate
CID 139785787

Frequently Asked Questions

What is the IUPAC name of 9-(phenoxymethyl)phenanthrene?
The IUPAC name of 9-(phenoxymethyl)phenanthrene (CID 10265899) is 9-(phenoxymethyl)phenanthrene.
What is the SMILES notation for 9-(phenoxymethyl)phenanthrene?
The canonical SMILES for 9-(phenoxymethyl)phenanthrene is c1ccc(OCc2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9-(phenoxymethyl)phenanthrene?
The InChIKey is LAEZBMBMTLPKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-2-9-18(10-3-1)22-15-17-14-16-8-4-5-11-19(16)21-13-7-6-12-20(17)21/h1-14H,15H2.
What are the key properties of 9-(phenoxymethyl)phenanthrene?
9-(phenoxymethyl)phenanthrene has a molecular weight of 284.36 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(phenoxymethyl)phenanthrene is sourced from PubChem (CID 10265899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).