3-ethoxy-4,5,6-trimethoxyphenanthrene

C19H20O4 — CID 16638082

IUPAC3-ethoxy-4,5,6-trimethoxyphenanthrene
SMILESCCOc1ccc2ccc3ccc(OC)c(OC)c3c2c1OC
InChIInChI=1S/C19H20O4/c1-5-23-15-11-9-13-7-6-12-8-10-14(20-2)18(21-3)16(12)17(13)19(15)22-4/h6-11H,5H2,1-4H3
InChIKeyPTPRQOOEYSRRIZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.42
Rot. Bonds5

About 3-ethoxy-4,5,6-trimethoxyphenanthrene

3-ethoxy-4,5,6-trimethoxyphenanthrene (PubChem CID 16638082) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-ethoxy-4,5,6-trimethoxyphenanthrene.

Molecular Properties

Compound Name3-ethoxy-4,5,6-trimethoxyphenanthrene
PubChem CID16638082
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-ethoxy-4,5,6-trimethoxyphenanthrene
SMILESCCOc1ccc2ccc3ccc(OC)c(OC)c3c2c1OC
InChIInChI=1S/C19H20O4/c1-5-23-15-11-9-13-7-6-12-8-10-14(20-2)18(21-3)16(12)17(13)19(15)22-4/h6-11H,5H2,1-4H3
InChIKeyPTPRQOOEYSRRIZ-UHFFFAOYSA-N
XLogP4.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-methoxynaphthalene
CID 45093938
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
4-ethoxy-1-(4-ethoxy-5-methoxynaphthalen-1-yl)-5-methoxynaphthalene
CID 10250525
1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186
7,8-dimethoxy-1-phenylisoquinoline
CID 134913622
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
CID 144536056

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,5,6-trimethoxyphenanthrene?
The IUPAC name of 3-ethoxy-4,5,6-trimethoxyphenanthrene (CID 16638082) is 3-ethoxy-4,5,6-trimethoxyphenanthrene.
What is the SMILES notation for 3-ethoxy-4,5,6-trimethoxyphenanthrene?
The canonical SMILES for 3-ethoxy-4,5,6-trimethoxyphenanthrene is CCOc1ccc2ccc3ccc(OC)c(OC)c3c2c1OC.
What is the InChIKey of 3-ethoxy-4,5,6-trimethoxyphenanthrene?
The InChIKey is PTPRQOOEYSRRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-5-23-15-11-9-13-7-6-12-8-10-14(20-2)18(21-3)16(12)17(13)19(15)22-4/h6-11H,5H2,1-4H3.
What are the key properties of 3-ethoxy-4,5,6-trimethoxyphenanthrene?
3-ethoxy-4,5,6-trimethoxyphenanthrene has a molecular weight of 312.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,5,6-trimethoxyphenanthrene is sourced from PubChem (CID 16638082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).