1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene

C15H23O2P — CID 70140823

IUPAC1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
SMILESCOc1c(C(C)(C)C)cc(P=O)cc1C(C)(C)C
InChIInChI=1S/C15H23O2P/c1-14(2,3)11-8-10(18-16)9-12(13(11)17-7)15(4,5)6/h8-9H,1-7H3
InChIKeyXAPQRNQYRDWVST-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.21
Rot. Bonds2

About 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene

1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene (PubChem CID 70140823) has the molecular formula C15H23O2P and a molecular weight of 266.32 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene.

Molecular Properties

Compound Name1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
PubChem CID70140823
Molecular FormulaC15H23O2P
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene
SMILESCOc1c(C(C)(C)C)cc(P=O)cc1C(C)(C)C
InChIInChI=1S/C15H23O2P/c1-14(2,3)11-8-10(18-16)9-12(13(11)17-7)15(4,5)6/h8-9H,1-7H3
InChIKeyXAPQRNQYRDWVST-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene 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

(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
CID 123380319
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
azanium 3,5-ditert-butyl-4-methoxybenzenesulfonate
CID 168869499
CID 58741303
CID 58741303
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
2-chloro-1-(3,5-ditert-butyl-4-methoxyphenyl)ethanone
CID 82265799
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
2-[(3,5-ditert-butyl-4-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
CID 11174789
3-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanylpropyl-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
CID 18324360
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene?
The IUPAC name of 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene (CID 70140823) is 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene.
What is the SMILES notation for 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene?
The canonical SMILES for 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene is COc1c(C(C)(C)C)cc(P=O)cc1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene?
The InChIKey is XAPQRNQYRDWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O2P/c1-14(2,3)11-8-10(18-16)9-12(13(11)17-7)15(4,5)6/h8-9H,1-7H3.
What are the key properties of 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene?
1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene has a molecular weight of 266.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-methoxy-5-phosphorosobenzene is sourced from PubChem (CID 70140823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).