2,3,4,7-tetramethoxyphenanthrene

C18H18O4 — CID 11437978

IUPAC2,3,4,7-tetramethoxyphenanthrene
SMILESCOc1ccc2c(ccc3cc(OC)c(OC)c(OC)c32)c1
InChIInChI=1S/C18H18O4/c1-19-13-7-8-14-11(9-13)5-6-12-10-15(20-2)17(21-3)18(22-4)16(12)14/h5-10H,1-4H3
InChIKeySZWNNHPMXYWRRE-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.03
Rot. Bonds4

About 2,3,4,7-tetramethoxyphenanthrene

2,3,4,7-tetramethoxyphenanthrene (PubChem CID 11437978) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,3,4,7-tetramethoxyphenanthrene.

Molecular Properties

Compound Name2,3,4,7-tetramethoxyphenanthrene
PubChem CID11437978
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2,3,4,7-tetramethoxyphenanthrene
SMILESCOc1ccc2c(ccc3cc(OC)c(OC)c(OC)c32)c1
InChIInChI=1S/C18H18O4/c1-19-13-7-8-14-11(9-13)5-6-12-10-15(20-2)17(21-3)18(22-4)16(12)14/h5-10H,1-4H3
InChIKeySZWNNHPMXYWRRE-UHFFFAOYSA-N
XLogP4.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3,4,7-tetramethoxyphenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
1,3,7-trimethoxynaphthalene
CID 102088907
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
1,2,3,8-tetramethoxynaphthalene
CID 91328449
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
(3,5-diacetyloxy-6,7-dimethoxyphenanthren-2-yl) acetate
CID 163087748
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 14526428

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetramethoxyphenanthrene?
The IUPAC name of 2,3,4,7-tetramethoxyphenanthrene (CID 11437978) is 2,3,4,7-tetramethoxyphenanthrene.
What is the SMILES notation for 2,3,4,7-tetramethoxyphenanthrene?
The canonical SMILES for 2,3,4,7-tetramethoxyphenanthrene is COc1ccc2c(ccc3cc(OC)c(OC)c(OC)c32)c1.
What is the InChIKey of 2,3,4,7-tetramethoxyphenanthrene?
The InChIKey is SZWNNHPMXYWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-19-13-7-8-14-11(9-13)5-6-12-10-15(20-2)17(21-3)18(22-4)16(12)14/h5-10H,1-4H3.
What are the key properties of 2,3,4,7-tetramethoxyphenanthrene?
2,3,4,7-tetramethoxyphenanthrene has a molecular weight of 298.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetramethoxyphenanthrene is sourced from PubChem (CID 11437978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).