ditert-butyl-(3-methoxy-5-methylphenyl)phosphane

C16H27OP — CID 118501545

IUPACditert-butyl-(3-methoxy-5-methylphenyl)phosphane
SMILESCOc1cc(C)cc(P(C(C)(C)C)C(C)(C)C)c1
InChIInChI=1S/C16H27OP/c1-12-9-13(17-8)11-14(10-12)18(15(2,3)4)16(5,6)7/h9-11H,1-8H3
InChIKeyVGQDVNNNKCBAEV-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.71
Rot. Bonds2

About ditert-butyl-(3-methoxy-5-methylphenyl)phosphane

ditert-butyl-(3-methoxy-5-methylphenyl)phosphane (PubChem CID 118501545) has the molecular formula C16H27OP and a molecular weight of 266.36 g/mol. Its IUPAC name is ditert-butyl-(3-methoxy-5-methylphenyl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(3-methoxy-5-methylphenyl)phosphane
PubChem CID118501545
Molecular FormulaC16H27OP
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Nameditert-butyl-(3-methoxy-5-methylphenyl)phosphane
SMILESCOc1cc(C)cc(P(C(C)(C)C)C(C)(C)C)c1
InChIInChI=1S/C16H27OP/c1-12-9-13(17-8)11-14(10-12)18(15(2,3)4)16(5,6)7/h9-11H,1-8H3
InChIKeyVGQDVNNNKCBAEV-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.71
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

1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
3-methoxy-5-methylbenzenethiol
CID 22504719
2-tert-butyl-5-methoxy-7-methylazulene
CID 165372127
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
[3,5-bis(1,1,2-trifluoroethoxy)phenyl]-ditert-butylphosphane
CID 118057326
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
CID 91216321
(3-methoxy-5-methylphenyl)-methyloxidanium
CID 143118319
1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene
CID 141194563

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-(3-methoxy-5-methylphenyl)phosphane?
The IUPAC name of ditert-butyl-(3-methoxy-5-methylphenyl)phosphane (CID 118501545) is ditert-butyl-(3-methoxy-5-methylphenyl)phosphane.
What is the SMILES notation for ditert-butyl-(3-methoxy-5-methylphenyl)phosphane?
The canonical SMILES for ditert-butyl-(3-methoxy-5-methylphenyl)phosphane is COc1cc(C)cc(P(C(C)(C)C)C(C)(C)C)c1.
What is the InChIKey of ditert-butyl-(3-methoxy-5-methylphenyl)phosphane?
The InChIKey is VGQDVNNNKCBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OP/c1-12-9-13(17-8)11-14(10-12)18(15(2,3)4)16(5,6)7/h9-11H,1-8H3.
What are the key properties of ditert-butyl-(3-methoxy-5-methylphenyl)phosphane?
ditert-butyl-(3-methoxy-5-methylphenyl)phosphane has a molecular weight of 266.36 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(3-methoxy-5-methylphenyl)phosphane is sourced from PubChem (CID 118501545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).