7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene

C17H17FO — CID 175802586

IUPAC7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene
SMILESCOc1ccc2c(c1)C(C)(C)Cc1cc(F)ccc1-2
InChIInChI=1S/C17H17FO/c1-17(2)10-11-8-12(18)4-6-14(11)15-7-5-13(19-3)9-16(15)17/h4-9H,10H2,1-3H3
InChIKeyZRHSIOHCJSZMPH-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.34
Rot. Bonds1

About 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene

7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene (PubChem CID 175802586) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene.

Molecular Properties

Compound Name7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene
PubChem CID175802586
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene
SMILESCOc1ccc2c(c1)C(C)(C)Cc1cc(F)ccc1-2
InChIInChI=1S/C17H17FO/c1-17(2)10-11-8-12(18)4-6-14(11)15-7-5-13(19-3)9-16(15)17/h4-9H,10H2,1-3H3
InChIKeyZRHSIOHCJSZMPH-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-methoxy-1-methyl-3-methylidene-2H-inden-1-ol
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6-fluoro-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 138749776
2-fluoro-7-methoxy-5,5,10,10-tetramethyl-[1]benzosilolo[3,2-b][1]benzosilole
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7-fluoro-2,4-dimethoxy-9,9-dimethylfluorene
CID 147991606
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
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CID 57337186
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene?
The IUPAC name of 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene (CID 175802586) is 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene.
What is the SMILES notation for 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene?
The canonical SMILES for 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene is COc1ccc2c(c1)C(C)(C)Cc1cc(F)ccc1-2.
What is the InChIKey of 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene?
The InChIKey is ZRHSIOHCJSZMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-17(2)10-11-8-12(18)4-6-14(11)15-7-5-13(19-3)9-16(15)17/h4-9H,10H2,1-3H3.
What are the key properties of 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene?
7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene has a molecular weight of 256.32 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene is sourced from PubChem (CID 175802586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).