3H-naphtho[1,2-f]chromene

C17H12O — CID 21107825

IUPAC3H-naphtho[1,2-f]chromene
SMILESC1=Cc2c(ccc3ccc4ccccc4c23)OC1
InChIInChI=1S/C17H12O/c1-2-5-14-12(4-1)7-8-13-9-10-16-15(17(13)14)6-3-11-18-16/h1-10H,11H2
InChIKeyUKRVFQVNIUHCKW-UHFFFAOYSA-N
MW232.28 g/mol
LogP4.40
Rot. Bonds

About 3H-naphtho[1,2-f]chromene

3H-naphtho[1,2-f]chromene (PubChem CID 21107825) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 3H-naphtho[1,2-f]chromene.

Molecular Properties

Compound Name3H-naphtho[1,2-f]chromene
PubChem CID21107825
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name3H-naphtho[1,2-f]chromene
SMILESC1=Cc2c(ccc3ccc4ccccc4c23)OC1
InChIInChI=1S/C17H12O/c1-2-5-14-12(4-1)7-8-13-9-10-16-15(17(13)14)6-3-11-18-16/h1-10H,11H2
InChIKeyUKRVFQVNIUHCKW-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 54.40
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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Frequently Asked Questions

What is the IUPAC name of 3H-naphtho[1,2-f]chromene?
The IUPAC name of 3H-naphtho[1,2-f]chromene (CID 21107825) is 3H-naphtho[1,2-f]chromene.
What is the SMILES notation for 3H-naphtho[1,2-f]chromene?
The canonical SMILES for 3H-naphtho[1,2-f]chromene is C1=Cc2c(ccc3ccc4ccccc4c23)OC1.
What is the InChIKey of 3H-naphtho[1,2-f]chromene?
The InChIKey is UKRVFQVNIUHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c1-2-5-14-12(4-1)7-8-13-9-10-16-15(17(13)14)6-3-11-18-16/h1-10H,11H2.
What are the key properties of 3H-naphtho[1,2-f]chromene?
3H-naphtho[1,2-f]chromene has a molecular weight of 232.28 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-naphtho[1,2-f]chromene is sourced from PubChem (CID 21107825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).