3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

C14H18O — CID 157156221

IUPAC3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESCC(C)c1ccc2c(c1)CC(=O)CCC2
InChIInChI=1S/C14H18O/c1-10(2)12-7-6-11-4-3-5-14(15)9-13(11)8-12/h6-8,10H,3-5,9H2,1-2H3
InChIKeyDTFZTQLIRSKLDJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.26
Rot. Bonds1

About 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (PubChem CID 157156221) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.

Molecular Properties

Compound Name3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
PubChem CID157156221
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESCC(C)c1ccc2c(c1)CC(=O)CCC2
InChIInChI=1S/C14H18O/c1-10(2)12-7-6-11-4-3-5-14(15)9-13(11)8-12/h6-8,10H,3-5,9H2,1-2H3
InChIKeyDTFZTQLIRSKLDJ-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
ethane;9-methyl-3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 176948054
6-propan-2-yl-4H-chromen-3-one
CID 82603351
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2-tert-butyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 58124109
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
[(2R)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859258
(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 24808609
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The IUPAC name of 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (CID 157156221) is 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.
What is the SMILES notation for 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The canonical SMILES for 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is CC(C)c1ccc2c(c1)CC(=O)CCC2.
What is the InChIKey of 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The InChIKey is DTFZTQLIRSKLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)12-7-6-11-4-3-5-14(15)9-13(11)8-12/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one has a molecular weight of 202.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is sourced from PubChem (CID 157156221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).