4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol

C50H54O2 — CID 71369615

IUPAC4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
SMILESCCC(c1ccccc1)c1cc(C(C)c2cc(C(CC)c3ccccc3)c(O)c(C(CC)c3ccccc3)c2)cc(C(CC)c2ccccc2)c1O
InChIInChI=1S/C50H54O2/c1-6-41(35-22-14-10-15-23-35)45-30-39(31-46(49(45)51)42(7-2)36-24-16-11-17-25-36)34(5)40-32-47(43(8-3)37-26-18-12-19-27-37)50(52)48(33-40)44(9-4)38-28-20-13-21-29-38/h10-34,41-44,51-52H,6-9H2,1-5H3
InChIKeyGHRJSRQTBOEVJA-UHFFFAOYSA-N
MW686.98 g/mol
LogP13.42
Rot. Bonds14

About 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol

4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol (PubChem CID 71369615) has the molecular formula C50H54O2 and a molecular weight of 686.98 g/mol. Its IUPAC name is 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol.

Molecular Properties

Compound Name4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
PubChem CID71369615
Molecular FormulaC50H54O2
Molecular Weight686.98 g/mol
Exact Mass686.41
IUPAC Name4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
SMILESCCC(c1ccccc1)c1cc(C(C)c2cc(C(CC)c3ccccc3)c(O)c(C(CC)c3ccccc3)c2)cc(C(CC)c2ccccc2)c1O
InChIInChI=1S/C50H54O2/c1-6-41(35-22-14-10-15-23-35)45-30-39(31-46(49(45)51)42(7-2)36-24-16-11-17-25-36)34(5)40-32-47(43(8-3)37-26-18-12-19-27-37)50(52)48(33-40)44(9-4)38-28-20-13-21-29-38/h10-34,41-44,51-52H,6-9H2,1-5H3
InChIKeyGHRJSRQTBOEVJA-UHFFFAOYSA-N
XLogP13.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.98
LogP ≤ 513.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 15085359
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol
CID 118264444
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
CID 23045364
2-[[2-hydroxy-5-nonyl-3-(1-phenylpropyl)phenyl]methyl]-4-nonyl-6-(1-phenylpropyl)phenol
CID 67804775
[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
CID 158802714
oxalic acid;1-phenylpropylbenzene
CID 67824543
4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
3-hexan-2-yl-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 150931941
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol?
The IUPAC name of 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol (CID 71369615) is 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol.
What is the SMILES notation for 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol?
The canonical SMILES for 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol is CCC(c1ccccc1)c1cc(C(C)c2cc(C(CC)c3ccccc3)c(O)c(C(CC)c3ccccc3)c2)cc(C(CC)c2ccccc2)c1O.
What is the InChIKey of 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol?
The InChIKey is GHRJSRQTBOEVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54O2/c1-6-41(35-22-14-10-15-23-35)45-30-39(31-46(49(45)51)42(7-2)36-24-16-11-17-25-36)34(5)40-32-47(43(8-3)37-26-18-12-19-27-37)50(52)48(33-40)44(9-4)38-28-20-13-21-29-38/h10-34,41-44,51-52H,6-9H2,1-5H3.
What are the key properties of 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol?
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol has a molecular weight of 686.98 g/mol, XLogP of 13.42, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol is sourced from PubChem (CID 71369615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).