7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one

C20H22O — CID 174638632

IUPAC7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
SMILESO=C1CCCc2cc3ccc(C4CCCCC4)cc3cc21
InChIInChI=1S/C20H22O/c21-20-8-4-7-17-11-16-10-9-15(12-18(16)13-19(17)20)14-5-2-1-3-6-14/h9-14H,1-8H2
InChIKeyFVXCKXUNWIDMHD-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.41
Rot. Bonds1

About 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one

7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one (PubChem CID 174638632) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one.

Molecular Properties

Compound Name7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
PubChem CID174638632
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
SMILESO=C1CCCc2cc3ccc(C4CCCCC4)cc3cc21
InChIInChI=1S/C20H22O/c21-20-8-4-7-17-11-16-10-9-15(12-18(16)13-19(17)20)14-5-2-1-3-6-14/h9-14H,1-8H2
InChIKeyFVXCKXUNWIDMHD-UHFFFAOYSA-N
XLogP5.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one?
The IUPAC name of 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one (CID 174638632) is 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one.
What is the SMILES notation for 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one?
The canonical SMILES for 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one is O=C1CCCc2cc3ccc(C4CCCCC4)cc3cc21.
What is the InChIKey of 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one?
The InChIKey is FVXCKXUNWIDMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c21-20-8-4-7-17-11-16-10-9-15(12-18(16)13-19(17)20)14-5-2-1-3-6-14/h9-14H,1-8H2.
What are the key properties of 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one?
7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one has a molecular weight of 278.40 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one is sourced from PubChem (CID 174638632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).