5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene

C26H24O — CID 174746968

IUPAC5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene
SMILESCC1Cc2ccccc2-c2ccc3c(c21)=CCC(COc1ccccc1)C=3
InChIInChI=1S/C26H24O/c1-18-15-20-7-5-6-10-23(20)25-14-12-21-16-19(11-13-24(21)26(18)25)17-27-22-8-3-2-4-9-22/h2-10,12-14,16,18-19H,11,15,17H2,1H3
InChIKeyDZEFQMTZQKKRKP-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.67
Rot. Bonds3

About 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene

5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene (PubChem CID 174746968) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene.

Molecular Properties

Compound Name5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene
PubChem CID174746968
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene
SMILESCC1Cc2ccccc2-c2ccc3c(c21)=CCC(COc1ccccc1)C=3
InChIInChI=1S/C26H24O/c1-18-15-20-7-5-6-10-23(20)25-14-12-21-16-19(11-13-24(21)26(18)25)17-27-22-8-3-2-4-9-22/h2-10,12-14,16,18-19H,11,15,17H2,1H3
InChIKeyDZEFQMTZQKKRKP-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene?
The IUPAC name of 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene (CID 174746968) is 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene.
What is the SMILES notation for 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene?
The canonical SMILES for 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene is CC1Cc2ccccc2-c2ccc3c(c21)=CCC(COc1ccccc1)C=3.
What is the InChIKey of 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene?
The InChIKey is DZEFQMTZQKKRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O/c1-18-15-20-7-5-6-10-23(20)25-14-12-21-16-19(11-13-24(21)26(18)25)17-27-22-8-3-2-4-9-22/h2-10,12-14,16,18-19H,11,15,17H2,1H3.
What are the key properties of 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene?
5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene has a molecular weight of 352.48 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenoxymethyl)-2,3,5,6-tetrahydrochrysene is sourced from PubChem (CID 174746968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).