2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol

C37H52BrO2P — CID 141236257

IUPAC2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol
SMILESOc1ccccc1C(CCCCCCCCCCCCCCCCCCP(Br)c1ccccc1)c1ccccc1O
InChIInChI=1S/C37H52BrO2P/c38-41(32-24-16-15-17-25-32)31-23-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18-26-33(34-27-19-21-29-36(34)39)35-28-20-22-30-37(35)40/h15-17,19-22,24-25,27-30,33,39-40H,1-14,18,23,26,31H2
InChIKeyMRUCRYQYJFWICY-UHFFFAOYSA-N
MW639.70 g/mol
LogP11.98
Rot. Bonds22

About 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol

2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol (PubChem CID 141236257) has the molecular formula C37H52BrO2P and a molecular weight of 639.70 g/mol. Its IUPAC name is 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol.

Molecular Properties

Compound Name2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol
PubChem CID141236257
Molecular FormulaC37H52BrO2P
Molecular Weight639.70 g/mol
Exact Mass638.29
IUPAC Name2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol
SMILESOc1ccccc1C(CCCCCCCCCCCCCCCCCCP(Br)c1ccccc1)c1ccccc1O
InChIInChI=1S/C37H52BrO2P/c38-41(32-24-16-15-17-25-32)31-23-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18-26-33(34-27-19-21-29-36(34)39)35-28-20-22-30-37(35)40/h15-17,19-22,24-25,27-30,33,39-40H,1-14,18,23,26,31H2
InChIKeyMRUCRYQYJFWICY-UHFFFAOYSA-N
XLogP11.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.70
LogP ≤ 511.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1,13,13-tris(2-hydroxyphenyl)tridecyl]phenol
CID 19886957
2-(1-phenylnonyl)phenol
CID 67177643
2-(1-phenylpentyl)phenol
CID 19601156
2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 21256259
2-pentadecan-6-ylphenol
CID 66865451
7-hydroxy-2-(2-hydroxyphenyl)heptanoic acid
CID 140509835
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
2-(1,6-diaminohexyl)phenol
CID 19366084
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
2-(6-methylheptan-2-yl)phenol
CID 163037790
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369

Frequently Asked Questions

What is the IUPAC name of 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol?
The IUPAC name of 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol (CID 141236257) is 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol.
What is the SMILES notation for 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol?
The canonical SMILES for 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol is Oc1ccccc1C(CCCCCCCCCCCCCCCCCCP(Br)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol?
The InChIKey is MRUCRYQYJFWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52BrO2P/c38-41(32-24-16-15-17-25-32)31-23-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18-26-33(34-27-19-21-29-36(34)39)35-28-20-22-30-37(35)40/h15-17,19-22,24-25,27-30,33,39-40H,1-14,18,23,26,31H2.
What are the key properties of 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol?
2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol has a molecular weight of 639.70 g/mol, XLogP of 11.98, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[19-[bromo(phenyl)phosphanyl]-1-(2-hydroxyphenyl)nonadecyl]phenol is sourced from PubChem (CID 141236257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).