spiro[3H-chromene-2,1'-cyclohexane]-4-one

C14H16O2 — CID 11106781

IUPACspiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C14H16O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyDBQLMDVZSFDTRL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.35
Rot. Bonds

About spiro[3H-chromene-2,1'-cyclohexane]-4-one

spiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 11106781) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is spiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Namespiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID11106781
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namespiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C14H16O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7H,1,4-5,8-10H2
InChIKeyDBQLMDVZSFDTRL-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of spiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 11106781) is spiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for spiro[3H-chromene-2,1'-cyclohexane]-4-one is O=C1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is DBQLMDVZSFDTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of spiro[3H-chromene-2,1'-cyclohexane]-4-one?
spiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 216.28 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 11106781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).