7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide

C14H15O2P — CID 12500022

IUPAC7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide
SMILESCOc1ccc2c3c(ccc2c1)P(C)(=O)CC3
InChIInChI=1S/C14H15O2P/c1-16-11-4-5-12-10(9-11)3-6-14-13(12)7-8-17(14,2)15/h3-6,9H,7-8H2,1-2H3
InChIKeyUGTHFOLIQZAGAJ-UHFFFAOYSA-N
MW246.25 g/mol
LogP3.02
Rot. Bonds1

About 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide

7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide (PubChem CID 12500022) has the molecular formula C14H15O2P and a molecular weight of 246.25 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide.

Molecular Properties

Compound Name7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide
PubChem CID12500022
Molecular FormulaC14H15O2P
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Name7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide
SMILESCOc1ccc2c3c(ccc2c1)P(C)(=O)CC3
InChIInChI=1S/C14H15O2P/c1-16-11-4-5-12-10(9-11)3-6-14-13(12)7-8-17(14,2)15/h3-6,9H,7-8H2,1-2H3
InChIKeyUGTHFOLIQZAGAJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
CID 10084827
1-(6-methoxynaphthalene-2-carbonyl)piperidine-2,6-dione
CID 132604473
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
(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
CID 57376665
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
CID 14924019
(13S)-3-methoxy-11,12,13,17-tetrahydrocyclopenta[a]phenanthren-16-one
CID 98511136
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
8-methoxy-12a-methyl-2,3,4,4a,11,12-hexahydrochrysen-1-one
CID 626328
1,3,7-trimethoxynaphthalene
CID 102088907
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide?
The IUPAC name of 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide (CID 12500022) is 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide.
What is the SMILES notation for 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide?
The canonical SMILES for 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide is COc1ccc2c3c(ccc2c1)P(C)(=O)CC3.
What is the InChIKey of 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide?
The InChIKey is UGTHFOLIQZAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P/c1-16-11-4-5-12-10(9-11)3-6-14-13(12)7-8-17(14,2)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide?
7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide has a molecular weight of 246.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide is sourced from PubChem (CID 12500022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).