3-chloro-2-fluorophenanthren-1-ol;hydrochloride

C14H9Cl2FO — CID 140974823

IUPAC3-chloro-2-fluorophenanthren-1-ol;hydrochloride
SMILESCl.Oc1c(F)c(Cl)cc2c1ccc1ccccc12
InChIInChI=1S/C14H8ClFO.ClH/c15-12-7-11-9-4-2-1-3-8(9)5-6-10(11)14(17)13(12)16;/h1-7,17H;1H
InChIKeyPKKDIDJRAPHIGS-UHFFFAOYSA-N
MW283.13 g/mol
LogP4.91
Rot. Bonds

About 3-chloro-2-fluorophenanthren-1-ol;hydrochloride

3-chloro-2-fluorophenanthren-1-ol;hydrochloride (PubChem CID 140974823) has the molecular formula C14H9Cl2FO and a molecular weight of 283.13 g/mol. Its IUPAC name is 3-chloro-2-fluorophenanthren-1-ol;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-fluorophenanthren-1-ol;hydrochloride
PubChem CID140974823
Molecular FormulaC14H9Cl2FO
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Name3-chloro-2-fluorophenanthren-1-ol;hydrochloride
SMILESCl.Oc1c(F)c(Cl)cc2c1ccc1ccccc12
InChIInChI=1S/C14H8ClFO.ClH/c15-12-7-11-9-4-2-1-3-8(9)5-6-10(11)14(17)13(12)16;/h1-7,17H;1H
InChIKeyPKKDIDJRAPHIGS-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chlorophenanthren-1-ol
CID 88831797
1,2-difluorochrysene
CID 86208925
2-fluoro-3-methylnaphthalen-1-ol
CID 150732713
2-(2-chloro-6-fluorophenyl)naphthalen-1-ol
CID 166042727
1-fluoronaphthalen-2-ol
CID 11094948
6-chloropicen-2-ol
CID 174251317
8,10-dichloro-9,11-difluorobenzo[a]anthracene
CID 13419526
phenanthrene;phosphinous acid
CID 174826862
chrysene;iron
CID 157379031
phenanthren-3-ol
CID 73057263
2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
CID 70015701
anthracene-1,2,10-triol
CID 11342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluorophenanthren-1-ol;hydrochloride?
The IUPAC name of 3-chloro-2-fluorophenanthren-1-ol;hydrochloride (CID 140974823) is 3-chloro-2-fluorophenanthren-1-ol;hydrochloride.
What is the SMILES notation for 3-chloro-2-fluorophenanthren-1-ol;hydrochloride?
The canonical SMILES for 3-chloro-2-fluorophenanthren-1-ol;hydrochloride is Cl.Oc1c(F)c(Cl)cc2c1ccc1ccccc12.
What is the InChIKey of 3-chloro-2-fluorophenanthren-1-ol;hydrochloride?
The InChIKey is PKKDIDJRAPHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFO.ClH/c15-12-7-11-9-4-2-1-3-8(9)5-6-10(11)14(17)13(12)16;/h1-7,17H;1H.
What are the key properties of 3-chloro-2-fluorophenanthren-1-ol;hydrochloride?
3-chloro-2-fluorophenanthren-1-ol;hydrochloride has a molecular weight of 283.13 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluorophenanthren-1-ol;hydrochloride is sourced from PubChem (CID 140974823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).