5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol

C18H14ClFO — CID 175054434

IUPAC5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(F)CC(Cl)=CC=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H14ClFO/c19-16-9-10-17(18(20,21)12-16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,21H,12H2
InChIKeySVAUGZSKAIWMGN-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.92
Rot. Bonds2

About 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol

5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 175054434) has the molecular formula C18H14ClFO and a molecular weight of 300.76 g/mol. Its IUPAC name is 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol
PubChem CID175054434
Molecular FormulaC18H14ClFO
Molecular Weight300.76 g/mol
Exact Mass300.07
IUPAC Name5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(F)CC(Cl)=CC=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H14ClFO/c19-16-9-10-17(18(20,21)12-16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,21H,12H2
InChIKeySVAUGZSKAIWMGN-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol (CID 175054434) is 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol is OC1(F)CC(Cl)=CC=C1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is SVAUGZSKAIWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO/c19-16-9-10-17(18(20,21)12-16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-11,21H,12H2.
What are the key properties of 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol?
5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 300.76 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-fluoro-2-(3-phenylphenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175054434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).