1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid

C19H18O6 — CID 174558814

IUPAC1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(OC)c2c(ccc3cccc(OC)c32)c1OC
InChIInChI=1S/C19H18O6/c1-22-12-7-5-6-10-8-9-11-14(13(10)12)17(24-3)15(19(20)21)18(25-4)16(11)23-2/h5-9H,1-4H3,(H,20,21)
InChIKeyQXGTXKFGOHBEDN-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.73
Rot. Bonds5

About 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid

1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid (PubChem CID 174558814) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid.

Molecular Properties

Compound Name1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid
PubChem CID174558814
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(OC)c2c(ccc3cccc(OC)c32)c1OC
InChIInChI=1S/C19H18O6/c1-22-12-7-5-6-10-8-9-11-14(13(10)12)17(24-3)15(19(20)21)18(25-4)16(11)23-2/h5-9H,1-4H3,(H,20,21)
InChIKeyQXGTXKFGOHBEDN-UHFFFAOYSA-N
XLogP3.73
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid 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

1,3,4-trimethoxy-8-methylnaphthalene-2-carboxylic acid
CID 68764858
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
2-(benzenesulfonylmethyl)-8-methoxynaphthalene-1-carboxylic acid
CID 52913419
1-(2-hydroxy-3-methoxypyren-1-yl)ethanone
CID 165376941
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
1,8-dimethoxynaphthalen-2-amine
CID 115022882
octacyclo[21.3.1.110,14.03,12.06,11.013,26.016,25.019,24]octacosa-1(27),2,4,6(11),7,9,12,14(28),15,17,19(24),20,22,25-tetradecaene-2,15-dicarboxylic acid
CID 101396201
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1,8-dimethoxy-3-[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-1-enyl]naphthalene-2-carboxylic acid
CID 134830565
(2,4-dimethoxyphenyl)-pyren-1-ylmethanone
CID 15505944
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid?
The IUPAC name of 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid (CID 174558814) is 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid.
What is the SMILES notation for 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid?
The canonical SMILES for 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid is COc1c(C(=O)O)c(OC)c2c(ccc3cccc(OC)c32)c1OC.
What is the InChIKey of 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid?
The InChIKey is QXGTXKFGOHBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-22-12-7-5-6-10-8-9-11-14(13(10)12)17(24-3)15(19(20)21)18(25-4)16(11)23-2/h5-9H,1-4H3,(H,20,21).
What are the key properties of 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid?
1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethoxyphenanthrene-3-carboxylic acid is sourced from PubChem (CID 174558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).