(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane

C18H23OP — CID 153344578

IUPAC(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane
SMILESCOc1ccccc1CPc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23OP/c1-18(2,3)15-9-11-16(12-10-15)20-13-14-7-5-6-8-17(14)19-4/h5-12,20H,13H2,1-4H3
InChIKeyKDAGJRGHIOBCAU-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.50
Rot. Bonds4

About (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane

(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane (PubChem CID 153344578) has the molecular formula C18H23OP and a molecular weight of 286.36 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane
PubChem CID153344578
Molecular FormulaC18H23OP
Molecular Weight286.36 g/mol
Exact Mass286.15
IUPAC Name(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane
SMILESCOc1ccccc1CPc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23OP/c1-18(2,3)15-9-11-16(12-10-15)20-13-14-7-5-6-8-17(14)19-4/h5-12,20H,13H2,1-4H3
InChIKeyKDAGJRGHIOBCAU-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.50
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

[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane
CID 140642123
1-(4-tert-butylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61089438
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
(2-(111C)methoxyphenyl)methanol
CID 59897789
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
lithium (2-methoxyphenyl)methanolate
CID 139799103
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
CID 132653687

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane?
The IUPAC name of (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane (CID 153344578) is (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane.
What is the SMILES notation for (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane?
The canonical SMILES for (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane is COc1ccccc1CPc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane?
The InChIKey is KDAGJRGHIOBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OP/c1-18(2,3)15-9-11-16(12-10-15)20-13-14-7-5-6-8-17(14)19-4/h5-12,20H,13H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane?
(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane has a molecular weight of 286.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane is sourced from PubChem (CID 153344578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).