2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol

C26H24BrO2P — CID 173329205

IUPAC2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol
SMILESCOc1cc(Br)c(O)c(P(C)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24BrO2P/c1-29-20-18-24(27)26(28)25(19-20)30(2,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,28H,1-2H3
InChIKeyMQBYAQFLWKJKSO-UHFFFAOYSA-N
MW479.35 g/mol
LogP4.95
Rot. Bonds5

About 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol

2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol (PubChem CID 173329205) has the molecular formula C26H24BrO2P and a molecular weight of 479.35 g/mol. Its IUPAC name is 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol.

Molecular Properties

Compound Name2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol
PubChem CID173329205
Molecular FormulaC26H24BrO2P
Molecular Weight479.35 g/mol
Exact Mass478.07
IUPAC Name2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol
SMILESCOc1cc(Br)c(O)c(P(C)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24BrO2P/c1-29-20-18-24(27)26(28)25(19-20)30(2,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,28H,1-2H3
InChIKeyMQBYAQFLWKJKSO-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.35
LogP ≤ 54.95
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

1,3-dimethoxy-5-phenylbenzene
CID 11469945
chloro-(2,5-dimethoxyphenyl)-triphenyl-λ5-phosphane
CID 118733306
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol
CID 157264679
phosphane;1,3,5-trimethoxybenzene
CID 175232895
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
CID 174807806
CID 174807806
(3,5-dimethoxyphenyl) 2-bromobenzenesulfonate
CID 26944289
(3-bromo-5-methoxyphenyl)-phenylmethanone
CID 169228126
anisole;hydrochloride
CID 158800007
CID 172685187
CID 172685187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol?
The IUPAC name of 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol (CID 173329205) is 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol.
What is the SMILES notation for 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol?
The canonical SMILES for 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol is COc1cc(Br)c(O)c(P(C)(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol?
The InChIKey is MQBYAQFLWKJKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrO2P/c1-29-20-18-24(27)26(28)25(19-20)30(2,21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,28H,1-2H3.
What are the key properties of 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol?
2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol has a molecular weight of 479.35 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-6-[methyl(triphenyl)-λ5-phosphanyl]phenol is sourced from PubChem (CID 173329205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).