[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite

C30H47O4P — CID 67255445

IUPAC[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite
SMILESCCCCCCCCCCCCCCCOP(O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H47O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-33-35(32)34-29-23-19-27(20-24-29)30(2,3)26-17-21-28(31)22-18-26/h17-24,31-32H,4-16,25H2,1-3H3
InChIKeyBPLAVFRENXGCPH-UHFFFAOYSA-N
MW502.68 g/mol
LogP9.42
Rot. Bonds19

About [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite (PubChem CID 67255445) has the molecular formula C30H47O4P and a molecular weight of 502.68 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite
PubChem CID67255445
Molecular FormulaC30H47O4P
Molecular Weight502.68 g/mol
Exact Mass502.32
IUPAC Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite
SMILESCCCCCCCCCCCCCCCOP(O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C30H47O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-33-35(32)34-29-23-19-27(20-24-29)30(2,3)26-17-21-28(31)22-18-26/h17-24,31-32H,4-16,25H2,1-3H3
InChIKeyBPLAVFRENXGCPH-UHFFFAOYSA-N
XLogP9.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 59.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

dodecyl dihydrogen phosphite;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 67253735
(4-tert-butylphenyl) didodecyl phosphite
CID 59608946
dodecyl-dihydroxy-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phosphanium
CID 141258021
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] tetradecanoate
CID 71326283
[(E)-octadec-9-enyl] bis[4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 126572970
4-octadecoxyphenol
CID 22179059
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
hexadecyl 17-[hexadecoxy-[4-[2-[4-[hexadecoxy-(17-hexadecoxy-17-oxoheptadecyl)sulfanylphosphanyl]oxyphenyl]propan-2-yl]phenoxy]phosphanyl]sulfanylheptadecanoate
CID 101328799
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(tridecanoic acid)
CID 90370413
didecyl hydrogen phosphite
CID 14151265
4-[2-[4-[1-[9-[1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]ethoxy]nonoxy]ethoxy]phenyl]propan-2-yl]phenol
CID 59701640
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite?
The IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite (CID 67255445) is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite is CCCCCCCCCCCCCCCOP(O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite?
The InChIKey is BPLAVFRENXGCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-33-35(32)34-29-23-19-27(20-24-29)30(2,3)26-17-21-28(31)22-18-26/h17-24,31-32H,4-16,25H2,1-3H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite?
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite has a molecular weight of 502.68 g/mol, XLogP of 9.42, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] pentadecyl hydrogen phosphite is sourced from PubChem (CID 67255445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).