4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol

C19H16O5 — CID 102203361

IUPAC4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol
SMILESCOc1ccc2c(-c3ccc4c(c3)OCO4)cc(O)cc2c1OC
InChIInChI=1S/C19H16O5/c1-21-17-6-4-13-14(8-12(20)9-15(13)19(17)22-2)11-3-5-16-18(7-11)24-10-23-16/h3-9,20H,10H2,1-2H3
InChIKeyVQAZXQQGBLEQDT-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.96
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol

4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol (PubChem CID 102203361) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol
PubChem CID102203361
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol
SMILESCOc1ccc2c(-c3ccc4c(c3)OCO4)cc(O)cc2c1OC
InChIInChI=1S/C19H16O5/c1-21-17-6-4-13-14(8-12(20)9-15(13)19(17)22-2)11-3-5-16-18(7-11)24-10-23-16/h3-9,20H,10H2,1-2H3
InChIKeyVQAZXQQGBLEQDT-UHFFFAOYSA-N
XLogP3.96
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzaldehyde
CID 39234088
5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol
CID 23539254
3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
6-[1-(2,3,4-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-ol
CID 167151966
4-(1,3-benzodioxol-5-yl)-9-hydroxy-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
CID 54329762
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-21-ol chloride
CID 24827073
3-(1,3-benzodioxol-5-yl)-7-methoxy-6-propan-2-ylchromen-4-one
CID 4224623
(E)-1-(1,3-benzodioxol-5-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 8858417
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111845033
3-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-4-[2-(4-phenylphenyl)ethyl]isoquinolin-2-ium
CID 66618791

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol (CID 102203361) is 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol is COc1ccc2c(-c3ccc4c(c3)OCO4)cc(O)cc2c1OC.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol?
The InChIKey is VQAZXQQGBLEQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-21-17-6-4-13-14(8-12(20)9-15(13)19(17)22-2)11-3-5-16-18(7-11)24-10-23-16/h3-9,20H,10H2,1-2H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol?
4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol has a molecular weight of 324.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-7,8-dimethoxynaphthalen-2-ol is sourced from PubChem (CID 102203361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).