6-methoxy-1,2,3,4-tetrahydrochrysene

C19H18O — CID 174384948

IUPAC6-methoxy-1,2,3,4-tetrahydrochrysene
SMILESCOc1cc2c3c(ccc2c2ccccc12)CCCC3
InChIInChI=1S/C19H18O/c1-20-19-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyGTOWKJARLJZTDQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.88
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydrochrysene

6-methoxy-1,2,3,4-tetrahydrochrysene (PubChem CID 174384948) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydrochrysene
PubChem CID174384948
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name6-methoxy-1,2,3,4-tetrahydrochrysene
SMILESCOc1cc2c3c(ccc2c2ccccc12)CCCC3
InChIInChI=1S/C19H18O/c1-20-19-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyGTOWKJARLJZTDQ-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.88
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 6-methoxy-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydrochrysene (CID 174384948) is 6-methoxy-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydrochrysene is COc1cc2c3c(ccc2c2ccccc12)CCCC3.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydrochrysene?
The InChIKey is GTOWKJARLJZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-20-19-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19/h4-5,8-12H,2-3,6-7H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydrochrysene?
6-methoxy-1,2,3,4-tetrahydrochrysene has a molecular weight of 262.35 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174384948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).