2-(1,2,3,4-tetrahydrochrysen-1-yl)furan

C22H18O — CID 174587497

IUPAC2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
SMILESc1coc(C2CCCc3c2ccc2c3ccc3ccccc32)c1
InChIInChI=1S/C22H18O/c1-2-6-16-15(5-1)10-11-19-17-7-3-8-21(22-9-4-14-23-22)20(17)13-12-18(16)19/h1-2,4-6,9-14,21H,3,7-8H2
InChIKeyPXDSMDWBISXAOG-UHFFFAOYSA-N
MW298.39 g/mol
LogP6.05
Rot. Bonds1

About 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan

2-(1,2,3,4-tetrahydrochrysen-1-yl)furan (PubChem CID 174587497) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
PubChem CID174587497
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name2-(1,2,3,4-tetrahydrochrysen-1-yl)furan
SMILESc1coc(C2CCCc3c2ccc2c3ccc3ccccc32)c1
InChIInChI=1S/C22H18O/c1-2-6-16-15(5-1)10-11-19-17-7-3-8-21(22-9-4-14-23-22)20(17)13-12-18(16)19/h1-2,4-6,9-14,21H,3,7-8H2
InChIKeyPXDSMDWBISXAOG-UHFFFAOYSA-N
XLogP6.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 56.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan?
The IUPAC name of 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan (CID 174587497) is 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan?
The canonical SMILES for 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan is c1coc(C2CCCc3c2ccc2c3ccc3ccccc32)c1.
What is the InChIKey of 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan?
The InChIKey is PXDSMDWBISXAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-2-6-16-15(5-1)10-11-19-17-7-3-8-21(22-9-4-14-23-22)20(17)13-12-18(16)19/h1-2,4-6,9-14,21H,3,7-8H2.
What are the key properties of 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan?
2-(1,2,3,4-tetrahydrochrysen-1-yl)furan has a molecular weight of 298.39 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrochrysen-1-yl)furan is sourced from PubChem (CID 174587497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).