1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene

C22H16ClFO — CID 56590401

IUPAC1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene
SMILESCOc1ccc2c(c1)c(Cc1ccc(F)cc1)cc1c(Cl)cccc12
InChIInChI=1S/C22H16ClFO/c1-25-17-9-10-19-18-3-2-4-22(23)21(18)12-15(20(19)13-17)11-14-5-7-16(24)8-6-14/h2-10,12-13H,11H2,1H3
InChIKeySFQPPHYIZSCCTD-UHFFFAOYSA-N
MW350.82 g/mol
LogP6.38
Rot. Bonds3

About 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene

1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene (PubChem CID 56590401) has the molecular formula C22H16ClFO and a molecular weight of 350.82 g/mol. Its IUPAC name is 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene.

Molecular Properties

Compound Name1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene
PubChem CID56590401
Molecular FormulaC22H16ClFO
Molecular Weight350.82 g/mol
Exact Mass350.09
IUPAC Name1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene
SMILESCOc1ccc2c(c1)c(Cc1ccc(F)cc1)cc1c(Cl)cccc12
InChIInChI=1S/C22H16ClFO/c1-25-17-9-10-19-18-3-2-4-22(23)21(18)12-15(20(19)13-17)11-14-5-7-16(24)8-6-14/h2-10,12-13H,11H2,1H3
InChIKeySFQPPHYIZSCCTD-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.82
LogP ≤ 56.38
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

6,6'-Dimethoxy-2,2'-binaphthalenyl
CID 349174
9,10-Bis(4-methoxyphenyl)-2-chloroanthracene
CID 634627
1-Methoxypyrene
CID 160236
6-(3-Chloro-4-fluorophenyl)-5,7-dimethyl-4-phenylchromen-2-one
CID 6540215
2-[(Z)-2-(4-fluoro-3-methoxyphenyl)ethenyl]naphthalene
CID 44388025
2-Methoxy-6-[3-methoxy-5-(6-methoxy-2-naphthyl)phenyl]naphthalene
CID 59443492
2-Methoxybenzo[c]phenanthrene
CID 263303
1,8-Dichloro-9-methoxy-anthracene
CID 3373226
2-Chloro-9,10-bis(4-ethoxyphenyl)anthracene
CID 21715448
2-Methoxy-6-(4-trifluoromethylphenyl)naphthalene
CID 627413
1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene
CID 142767658
6-Methoxy-1,2,3,4-tetraphenylnaphthalene
CID 3489756

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene?
The IUPAC name of 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene (CID 56590401) is 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene.
What is the SMILES notation for 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene?
The canonical SMILES for 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene is COc1ccc2c(c1)c(Cc1ccc(F)cc1)cc1c(Cl)cccc12.
What is the InChIKey of 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene?
The InChIKey is SFQPPHYIZSCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFO/c1-25-17-9-10-19-18-3-2-4-22(23)21(18)12-15(20(19)13-17)11-14-5-7-16(24)8-6-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene?
1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene has a molecular weight of 350.82 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9-[(4-fluorophenyl)methyl]-7-methoxyphenanthrene is sourced from PubChem (CID 56590401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).