5-tert-butyl-3,4-dihydro-2H-anthracen-1-one

C18H20O — CID 174650762

IUPAC5-tert-butyl-3,4-dihydro-2H-anthracen-1-one
SMILESCC(C)(C)c1cccc2cc3c(cc12)CCCC3=O
InChIInChI=1S/C18H20O/c1-18(2,3)16-8-4-6-12-11-15-13(10-14(12)16)7-5-9-17(15)19/h4,6,8,10-11H,5,7,9H2,1-3H3
InChIKeyVCPDPAORJDRSPZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.66
Rot. Bonds

About 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one

5-tert-butyl-3,4-dihydro-2H-anthracen-1-one (PubChem CID 174650762) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one.

Molecular Properties

Compound Name5-tert-butyl-3,4-dihydro-2H-anthracen-1-one
PubChem CID174650762
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name5-tert-butyl-3,4-dihydro-2H-anthracen-1-one
SMILESCC(C)(C)c1cccc2cc3c(cc12)CCCC3=O
InChIInChI=1S/C18H20O/c1-18(2,3)16-8-4-6-12-11-15-13(10-14(12)16)7-5-9-17(15)19/h4,6,8,10-11H,5,7,9H2,1-3H3
InChIKeyVCPDPAORJDRSPZ-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-3,4-dihydro-2H-anthracen-1-one
CID 174638646
6-ethyl-10,11-dihydro-9H-benzo[a]anthracen-8-one
CID 125464395
5-tert-butyl-2H-isoquinolin-3-one
CID 139382730
1,7-ditert-butylnaphthalene
CID 59350345
6,7-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102006717
7-chloro-3,4-dihydro-2H-anthracen-1-one
CID 174638642
1-tert-butyl-6-methylnaphthalene
CID 3019596
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
(8-tert-butylnaphthalen-2-yl)phosphane
CID 166789589
7-chloro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297419
6-[9-(5-hydroxynaphthalen-2-yl)fluoren-9-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 123261950
7-trimethylstannyl-3,4-dihydro-2H-naphthalen-1-one
CID 15224570

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one?
The IUPAC name of 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one (CID 174650762) is 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one.
What is the SMILES notation for 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one?
The canonical SMILES for 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one is CC(C)(C)c1cccc2cc3c(cc12)CCCC3=O.
What is the InChIKey of 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one?
The InChIKey is VCPDPAORJDRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-18(2,3)16-8-4-6-12-11-15-13(10-14(12)16)7-5-9-17(15)19/h4,6,8,10-11H,5,7,9H2,1-3H3.
What are the key properties of 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one?
5-tert-butyl-3,4-dihydro-2H-anthracen-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dihydro-2H-anthracen-1-one is sourced from PubChem (CID 174650762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).