11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one

C18H11ClO4 — CID 146018204

IUPAC11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one
SMILESCOc1c(Cl)c2c3ccccc3c(=O)oc2c2cccc(O)c12
InChIInChI=1S/C18H11ClO4/c1-22-17-13-11(7-4-8-12(13)20)16-14(15(17)19)9-5-2-3-6-10(9)18(21)23-16/h2-8,20H,1H3
InChIKeyVPRHIPQILPTIBC-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.47
Rot. Bonds1

About 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one

11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one (PubChem CID 146018204) has the molecular formula C18H11ClO4 and a molecular weight of 326.74 g/mol. Its IUPAC name is 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one.

Molecular Properties

Compound Name11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one
PubChem CID146018204
Molecular FormulaC18H11ClO4
Molecular Weight326.74 g/mol
Exact Mass326.03
IUPAC Name11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one
SMILESCOc1c(Cl)c2c3ccccc3c(=O)oc2c2cccc(O)c12
InChIInChI=1S/C18H11ClO4/c1-22-17-13-11(7-4-8-12(13)20)16-14(15(17)19)9-5-2-3-6-10(9)18(21)23-16/h2-8,20H,1H3
InChIKeyVPRHIPQILPTIBC-UHFFFAOYSA-N
XLogP4.47
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
3,4-dichloro-8-methoxychromen-2-one
CID 12521868
4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936003
1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromene-8-carbaldehyde
CID 71485237
3,4-dimethoxyisochromen-1-one
CID 22924346
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
3-hydroxy-7-(2-hydroxyethyl)-4-methoxybenzo[c]chromen-6-one
CID 171935946
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
3-chloro-4-methoxynaphthalene-1,2-diol
CID 13478728
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437

Frequently Asked Questions

What is the IUPAC name of 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one?
The IUPAC name of 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one (CID 146018204) is 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one.
What is the SMILES notation for 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one?
The canonical SMILES for 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one is COc1c(Cl)c2c3ccccc3c(=O)oc2c2cccc(O)c12.
What is the InChIKey of 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one?
The InChIKey is VPRHIPQILPTIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO4/c1-22-17-13-11(7-4-8-12(13)20)16-14(15(17)19)9-5-2-3-6-10(9)18(21)23-16/h2-8,20H,1H3.
What are the key properties of 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one?
11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one has a molecular weight of 326.74 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-1-hydroxy-12-methoxynaphtho[1,2-c]isochromen-6-one is sourced from PubChem (CID 146018204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).