5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene

C21H20O3 — CID 122402189

IUPAC5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
SMILESCOc1ccc(-c2ccc3c4c(cccc24)CC3)c(OC)c1OC
InChIInChI=1S/C21H20O3/c1-22-18-12-11-17(20(23-2)21(18)24-3)15-10-9-14-8-7-13-5-4-6-16(15)19(13)14/h4-6,9-12H,7-8H2,1-3H3
InChIKeyDKWIFBALVFTQGQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.63
Rot. Bonds4

About 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene

5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene (PubChem CID 122402189) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
PubChem CID122402189
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
SMILESCOc1ccc(-c2ccc3c4c(cccc24)CC3)c(OC)c1OC
InChIInChI=1S/C21H20O3/c1-22-18-12-11-17(20(23-2)21(18)24-3)15-10-9-14-8-7-13-5-4-6-16(15)19(13)14/h4-6,9-12H,7-8H2,1-3H3
InChIKeyDKWIFBALVFTQGQ-UHFFFAOYSA-N
XLogP4.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene
CID 101465646
2-(1,2-dihydroacenaphthylen-5-yl)aniline
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3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
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N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
CID 4120706
2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
7-(2,3-dimethoxyphenyl)-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10782790
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186
6-[5-(2-formyl-3,4-dimethoxyphenyl)naphthalen-1-yl]-2,3-dimethoxybenzaldehyde
CID 10742444
6-methoxyphenalene-1,3-dione
CID 22763709
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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene (CID 122402189) is 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene is COc1ccc(-c2ccc3c4c(cccc24)CC3)c(OC)c1OC.
What is the InChIKey of 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene?
The InChIKey is DKWIFBALVFTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-22-18-12-11-17(20(23-2)21(18)24-3)15-10-9-14-8-7-13-5-4-6-16(15)19(13)14/h4-6,9-12H,7-8H2,1-3H3.
What are the key properties of 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene?
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene has a molecular weight of 320.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 122402189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).