1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one

C18H16O3 — CID 14240621

IUPAC1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
SMILESCOc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3
InChIInChI=1S/C18H16O3/c1-20-16-8-4-7-13-12(16)9-10-14-11-5-2-3-6-15(11)18(19)21-17(13)14/h4,7-10H,2-3,5-6H2,1H3
InChIKeyAYKMKGWUILCBOA-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.83
Rot. Bonds1

About 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one

1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one (PubChem CID 14240621) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one.

Molecular Properties

Compound Name1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
PubChem CID14240621
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
SMILESCOc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3
InChIInChI=1S/C18H16O3/c1-20-16-8-4-7-13-12(16)9-10-14-11-5-2-3-6-15(11)18(19)21-17(13)14/h4,7-10H,2-3,5-6H2,1H3
InChIKeyAYKMKGWUILCBOA-UHFFFAOYSA-N
XLogP3.83
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]propanoic acid
CID 7346200
methyl 2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]acetate
CID 974168
(2R)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]-2-phenylacetic acid
CID 40545307
4-[(2-fluorophenyl)methoxy]-3-methoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1242670
(2R)-2-[(3-methoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-4-yl)oxy]propanoate
CID 7346201
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
3-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one
CID 1299986
(2,6-dimethoxyphenyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7698711
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1332998
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) furan-2-carboxylate
CID 705656
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 1079178

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one?
The IUPAC name of 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one (CID 14240621) is 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one.
What is the SMILES notation for 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one?
The canonical SMILES for 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one is COc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3.
What is the InChIKey of 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one?
The InChIKey is AYKMKGWUILCBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-20-16-8-4-7-13-12(16)9-10-14-11-5-2-3-6-15(11)18(19)21-17(13)14/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one?
1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one has a molecular weight of 280.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one is sourced from PubChem (CID 14240621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).