5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one

C15H14O3 — CID 15573852

IUPAC5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
SMILESCOc1ccc2c3c(cc(OC)c2c1)C(=O)CC3
InChIInChI=1S/C15H14O3/c1-17-9-3-4-11-10-5-6-14(16)12(10)8-15(18-2)13(11)7-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyXUHHJADVFLKRMJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.99
Rot. Bonds2

About 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one

5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one (PubChem CID 15573852) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one.

Molecular Properties

Compound Name5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
PubChem CID15573852
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
SMILESCOc1ccc2c3c(cc(OC)c2c1)C(=O)CC3
InChIInChI=1S/C15H14O3/c1-17-9-3-4-11-10-5-6-14(16)12(10)8-15(18-2)13(11)7-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyXUHHJADVFLKRMJ-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
CID 10084827
N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide
CID 18445847
2,4,6-trimethoxynaphthalen-1-amine
CID 123693588
(13aS)-2,3,6,12-tetramethoxy-13a,14-dihydro-9H-phenanthro[9,10-f]indolizin-11-one
CID 88957558
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
3,8-dimethoxy-5-methyl-1,2-dihydrophenanthridin-6-one
CID 170746159
4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 14526428
5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
CID 55271105
7,12-dimethoxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-4-one
CID 21252815
1,3,7-trimethoxynaphthalene
CID 102088907
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
(20S)-4,5,10-trimethoxy-18-oxa-16-azapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(14),2,4,6,8(13),9,11-heptaen-17-one
CID 46188458

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one?
The IUPAC name of 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one (CID 15573852) is 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one.
What is the SMILES notation for 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one?
The canonical SMILES for 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one is COc1ccc2c3c(cc(OC)c2c1)C(=O)CC3.
What is the InChIKey of 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one?
The InChIKey is XUHHJADVFLKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-9-3-4-11-10-5-6-14(16)12(10)8-15(18-2)13(11)7-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one?
5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one has a molecular weight of 242.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one is sourced from PubChem (CID 15573852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).