4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

C19H24O3 — CID 14100852

IUPAC4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCOc1ccc2c(c1)CCC(C1CCC3OC(=O)CC31C)C2
InChIInChI=1S/C19H24O3/c1-19-11-18(20)22-17(19)8-7-16(19)14-4-3-13-10-15(21-2)6-5-12(13)9-14/h5-6,10,14,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyZGNNHXGSEUJPJI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.53
Rot. Bonds2

About 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 14100852) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID14100852
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCOc1ccc2c(c1)CCC(C1CCC3OC(=O)CC31C)C2
InChIInChI=1S/C19H24O3/c1-19-11-18(20)22-17(19)8-7-16(19)14-4-3-13-10-15(21-2)6-5-12(13)9-14/h5-6,10,14,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyZGNNHXGSEUJPJI-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one
CID 125472195
2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139866093
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
2-(6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 22384630
2,7-dimethoxy-3,4-dihydro-2H-chromene
CID 14415640
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 22383259
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 14100852) is 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is COc1ccc2c(c1)CCC(C1CCC3OC(=O)CC31C)C2.
What is the InChIKey of 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is ZGNNHXGSEUJPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-19-11-18(20)22-17(19)8-7-16(19)14-4-3-13-10-15(21-2)6-5-12(13)9-14/h5-6,10,14,16-17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 14100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).