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

C27H23FO — CID 174525417

IUPAC(2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone
SMILESCCC1Cc2ccc3c(c2=CC1C(=O)c1ccc(F)cc1)=CCc1ccccc1-3
InChIInChI=1S/C27H23FO/c1-2-17-15-20-10-14-23-22-6-4-3-5-18(22)9-13-24(23)25(20)16-26(17)27(29)19-7-11-21(28)12-8-19/h3-8,10-14,16-17,26H,2,9,15H2,1H3
InChIKeyJKNLJLDAJBUQNU-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.69
Rot. Bonds3

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

(2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone (PubChem CID 174525417) has the molecular formula C27H23FO and a molecular weight of 382.48 g/mol. Its IUPAC name is (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone
PubChem CID174525417
Molecular FormulaC27H23FO
Molecular Weight382.48 g/mol
Exact Mass382.17
IUPAC Name(2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone
SMILESCCC1Cc2ccc3c(c2=CC1C(=O)c1ccc(F)cc1)=CCc1ccccc1-3
InChIInChI=1S/C27H23FO/c1-2-17-15-20-10-14-23-22-6-4-3-5-18(22)9-13-24(23)25(20)16-26(17)27(29)19-7-11-21(28)12-8-19/h3-8,10-14,16-17,26H,2,9,15H2,1H3
InChIKeyJKNLJLDAJBUQNU-UHFFFAOYSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone (CID 174525417) is (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone is CCC1Cc2ccc3c(c2=CC1C(=O)c1ccc(F)cc1)=CCc1ccccc1-3.
What is the InChIKey of (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is JKNLJLDAJBUQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FO/c1-2-17-15-20-10-14-23-22-6-4-3-5-18(22)9-13-24(23)25(20)16-26(17)27(29)19-7-11-21(28)12-8-19/h3-8,10-14,16-17,26H,2,9,15H2,1H3.
What are the key properties of (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone?
(2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,3,6-tetrahydrochrysen-3-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 174525417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).