1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde

C16H10F2O2 — CID 167713797

IUPAC1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
SMILESCOc1ccc2c(ccc3c(F)c(F)c(C=O)cc32)c1
InChIInChI=1S/C16H10F2O2/c1-20-11-3-5-12-9(6-11)2-4-13-14(12)7-10(8-19)15(17)16(13)18/h2-8H,1H3
InChIKeyDENHOEXMZKPSEA-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.09
Rot. Bonds2

About 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde

1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde (PubChem CID 167713797) has the molecular formula C16H10F2O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde.

Molecular Properties

Compound Name1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
PubChem CID167713797
Molecular FormulaC16H10F2O2
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde
SMILESCOc1ccc2c(ccc3c(F)c(F)c(C=O)cc32)c1
InChIInChI=1S/C16H10F2O2/c1-20-11-3-5-12-9(6-11)2-4-13-14(12)7-10(8-19)15(17)16(13)18/h2-8H,1H3
InChIKeyDENHOEXMZKPSEA-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde 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

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
3-methoxychrysene-5-carbaldehyde
CID 25194479
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
6-methoxy-2-methylsulfonylnaphthalene-1-carbaldehyde
CID 141001617
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
6-methoxy-3-phenylselanylnaphthalene-1-carbaldehyde
CID 101486690
2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
CID 105485586
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
5-[dimethoxy-(4-methoxyphenyl)methyl]-2-fluorobenzaldehyde
CID 86643140

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde?
The IUPAC name of 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde (CID 167713797) is 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde.
What is the SMILES notation for 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde?
The canonical SMILES for 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde is COc1ccc2c(ccc3c(F)c(F)c(C=O)cc32)c1.
What is the InChIKey of 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde?
The InChIKey is DENHOEXMZKPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O2/c1-20-11-3-5-12-9(6-11)2-4-13-14(12)7-10(8-19)15(17)16(13)18/h2-8H,1H3.
What are the key properties of 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde?
1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde has a molecular weight of 272.25 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-7-methoxyphenanthrene-3-carbaldehyde is sourced from PubChem (CID 167713797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).