furan;2-methyl-1,2,3,4-tetrahydrochrysene

C23H22O — CID 174285203

IUPACfuran;2-methyl-1,2,3,4-tetrahydrochrysene
SMILESCC1CCc2c(ccc3c2ccc2ccccc23)C1.c1ccoc1
InChIInChI=1S/C19H18.C4H4O/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18;1-2-4-5-3-1/h2-5,7-8,10-11,13H,6,9,12H2,1H3;1-4H
InChIKeyHNCQLRXPGBZLGE-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.40
Rot. Bonds

About furan;2-methyl-1,2,3,4-tetrahydrochrysene

furan;2-methyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174285203) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is furan;2-methyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namefuran;2-methyl-1,2,3,4-tetrahydrochrysene
PubChem CID174285203
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Namefuran;2-methyl-1,2,3,4-tetrahydrochrysene
SMILESCC1CCc2c(ccc3c2ccc2ccccc23)C1.c1ccoc1
InChIInChI=1S/C19H18.C4H4O/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18;1-2-4-5-3-1/h2-5,7-8,10-11,13H,6,9,12H2,1H3;1-4H
InChIKeyHNCQLRXPGBZLGE-UHFFFAOYSA-N
XLogP6.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.40
H-Bond Donors ≤ 50
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-(diethoxymethyl)-1,2,3,4-tetrahydrochrysene;furan
CID 174893239
furan;1,2,3,4-tetrahydrochrysene;zirconium(4+);tetrachloride
CID 174556475
sodium;furan;hydride;1,2,3,4-tetrahydrochrysene
CID 174855997
furan;1,2,3,4-tetrahydrochrysene-3-carbonitrile
CID 174853347
chrysene;furan
CID 175516066
2-phenyl-1,2,3,4-tetrahydrochrysene
CID 174844260
2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174535991
dichloro(oxido)sulfanium;furan;1,2,3,4-tetrahydrochrysene
CID 174892720
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyrimidine
CID 174258210
1-butyl-1,2,3,4-tetrahydrochrysene;furan
CID 174895423
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174836526
2-(1-bromopropan-2-yloxy)-1,2,3,4-tetrahydrochrysene
CID 174838792

Frequently Asked Questions

What is the IUPAC name of furan;2-methyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of furan;2-methyl-1,2,3,4-tetrahydrochrysene (CID 174285203) is furan;2-methyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for furan;2-methyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for furan;2-methyl-1,2,3,4-tetrahydrochrysene is CC1CCc2c(ccc3c2ccc2ccccc23)C1.c1ccoc1.
What is the InChIKey of furan;2-methyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is HNCQLRXPGBZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18.C4H4O/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18;1-2-4-5-3-1/h2-5,7-8,10-11,13H,6,9,12H2,1H3;1-4H.
What are the key properties of furan;2-methyl-1,2,3,4-tetrahydrochrysene?
furan;2-methyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 314.43 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan;2-methyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174285203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).