[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol

C25H29O2P — CID 71212775

IUPAC[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol
SMILESCOc1ccccc1Cc1ccccc1Pc1c(CO)cccc1C(C)(C)C
InChIInChI=1S/C25H29O2P/c1-25(2,3)21-13-9-12-20(17-26)24(21)28-23-15-8-6-11-19(23)16-18-10-5-7-14-22(18)27-4/h5-15,26,28H,16-17H2,1-4H3
InChIKeyNGQLLSKEGDBPEB-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.71
Rot. Bonds6

About [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol

[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol (PubChem CID 71212775) has the molecular formula C25H29O2P and a molecular weight of 392.48 g/mol. Its IUPAC name is [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol.

Molecular Properties

Compound Name[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol
PubChem CID71212775
Molecular FormulaC25H29O2P
Molecular Weight392.48 g/mol
Exact Mass392.19
IUPAC Name[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol
SMILESCOc1ccccc1Cc1ccccc1Pc1c(CO)cccc1C(C)(C)C
InChIInChI=1S/C25H29O2P/c1-25(2,3)21-13-9-12-20(17-26)24(21)28-23-15-8-6-11-19(23)16-18-10-5-7-14-22(18)27-4/h5-15,26,28H,16-17H2,1-4H3
InChIKeyNGQLLSKEGDBPEB-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-(111C)methoxyphenyl)methanol
CID 59897789
[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylethyl]phosphane
CID 87508695
[4-[(2-methoxyphenyl)methyl]phenyl]methanol
CID 54205335
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
[2-[(2-methoxyphenyl)methyl]phenyl]-[1-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylpropan-2-yl]phosphane
CID 88782137
(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane
CID 153344578
[2-[(2-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335207
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
[2-(2-tert-butylphenoxy)-3-pyridinyl]methanol
CID 61255865
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
[5-[(2-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093727

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol?
The IUPAC name of [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol (CID 71212775) is [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol.
What is the SMILES notation for [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol?
The canonical SMILES for [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol is COc1ccccc1Cc1ccccc1Pc1c(CO)cccc1C(C)(C)C.
What is the InChIKey of [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol?
The InChIKey is NGQLLSKEGDBPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29O2P/c1-25(2,3)21-13-9-12-20(17-26)24(21)28-23-15-8-6-11-19(23)16-18-10-5-7-14-22(18)27-4/h5-15,26,28H,16-17H2,1-4H3.
What are the key properties of [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol?
[3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol has a molecular weight of 392.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2-[2-[(2-methoxyphenyl)methyl]phenyl]phosphanylphenyl]methanol is sourced from PubChem (CID 71212775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).