(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone

C25H19FO — CID 174525414

IUPAC(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCC=c2c1ccc1c2=CCc2ccccc2-1
InChIInChI=1S/C25H19FO/c26-18-11-8-17(9-12-18)25(27)24-7-3-6-20-22-13-10-16-4-1-2-5-19(16)21(22)14-15-23(20)24/h1-2,4-6,8-9,11-15,24H,3,7,10H2
InChIKeyMVOYFRGMKLJRSP-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.37
Rot. Bonds2

About (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone

(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone (PubChem CID 174525414) has the molecular formula C25H19FO and a molecular weight of 354.42 g/mol. Its IUPAC name is (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
PubChem CID174525414
Molecular FormulaC25H19FO
Molecular Weight354.42 g/mol
Exact Mass354.14
IUPAC Name(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCC=c2c1ccc1c2=CCc2ccccc2-1
InChIInChI=1S/C25H19FO/c26-18-11-8-17(9-12-18)25(27)24-7-3-6-20-22-13-10-16-4-1-2-5-19(16)21(22)14-15-23(20)24/h1-2,4-6,8-9,11-15,24H,3,7,10H2
InChIKeyMVOYFRGMKLJRSP-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
Cyclohexyl phenyl ketone
CID 12837
Phenalenone
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1-Tetralone
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CID 9948

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone (CID 174525414) is (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone is O=C(c1ccc(F)cc1)C1CCC=c2c1ccc1c2=CCc2ccccc2-1.
What is the InChIKey of (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone?
The InChIKey is MVOYFRGMKLJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO/c26-18-11-8-17(9-12-18)25(27)24-7-3-6-20-22-13-10-16-4-1-2-5-19(16)21(22)14-15-23(20)24/h1-2,4-6,8-9,11-15,24H,3,7,10H2.
What are the key properties of (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone?
(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone has a molecular weight of 354.42 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone is sourced from PubChem (CID 174525414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).