3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide

C16H17OP — CID 12543020

IUPAC3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
SMILESCc1ccc2c(c1)C(C)CP2(=O)c1ccccc1
InChIInChI=1S/C16H17OP/c1-12-8-9-16-15(10-12)13(2)11-18(16,17)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3
InChIKeyMDHYZYZXXZPYGZ-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.43
Rot. Bonds1

About 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide

3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide (PubChem CID 12543020) has the molecular formula C16H17OP and a molecular weight of 256.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
PubChem CID12543020
Molecular FormulaC16H17OP
Molecular Weight256.29 g/mol
Exact Mass256.10
IUPAC Name3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
SMILESCc1ccc2c(c1)C(C)CP2(=O)c1ccccc1
InChIInChI=1S/C16H17OP/c1-12-8-9-16-15(10-12)13(2)11-18(16,17)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3
InChIKeyMDHYZYZXXZPYGZ-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S)-3-methyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 23419049
3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 23454564
4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
CID 139428899
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
(4S)-4,6-dimethyl-3,4-dihydro-1H-isochromene
CID 134221484
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
3,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 23008934
2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102258017
(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
CID 98533107
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
CID 144612902
11-fluoro-5,17-dimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
CID 139429002
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide?
The IUPAC name of 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide (CID 12543020) is 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide is Cc1ccc2c(c1)C(C)CP2(=O)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide?
The InChIKey is MDHYZYZXXZPYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17OP/c1-12-8-9-16-15(10-12)13(2)11-18(16,17)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide?
3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide has a molecular weight of 256.29 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-2,3-dihydrophosphindole 1-oxide is sourced from PubChem (CID 12543020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).