1,6-dihydrochrysene

C18H14 — CID 141333626

IUPAC1,6-dihydrochrysene
SMILESC1=CCc2ccc3c(c2=C1)=CCc1ccccc1-3
InChIInChI=1S/C18H14/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-5,7-8,10-12H,6,9H2
InChIKeyCUMJJCRZKYEZHA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.58
Rot. Bonds

About 1,6-dihydrochrysene

1,6-dihydrochrysene (PubChem CID 141333626) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,6-dihydrochrysene.

Molecular Properties

Compound Name1,6-dihydrochrysene
PubChem CID141333626
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name1,6-dihydrochrysene
SMILESC1=CCc2ccc3c(c2=C1)=CCc1ccccc1-3
InChIInChI=1S/C18H14/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-5,7-8,10-12H,6,9H2
InChIKeyCUMJJCRZKYEZHA-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydrochrysene?
The IUPAC name of 1,6-dihydrochrysene (CID 141333626) is 1,6-dihydrochrysene.
What is the SMILES notation for 1,6-dihydrochrysene?
The canonical SMILES for 1,6-dihydrochrysene is C1=CCc2ccc3c(c2=C1)=CCc1ccccc1-3.
What is the InChIKey of 1,6-dihydrochrysene?
The InChIKey is CUMJJCRZKYEZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-5,7-8,10-12H,6,9H2.
What are the key properties of 1,6-dihydrochrysene?
1,6-dihydrochrysene has a molecular weight of 230.31 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydrochrysene is sourced from PubChem (CID 141333626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).