2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol

C34H38O2 — CID 19870927

IUPAC2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
SMILESCCCCCC(c1cccc(C(C)c2ccccc2)c1O)c1cccc(C(C)c2ccccc2)c1O
InChIInChI=1S/C34H38O2/c1-4-5-8-19-30(31-22-13-20-28(33(31)35)24(2)26-15-9-6-10-16-26)32-23-14-21-29(34(32)36)25(3)27-17-11-7-12-18-27/h6-7,9-18,20-25,30,35-36H,4-5,8,19H2,1-3H3
InChIKeyAPQAYHCBPJINEZ-UHFFFAOYSA-N
MW478.68 g/mol
LogP9.11
Rot. Bonds10

About 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol

2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol (PubChem CID 19870927) has the molecular formula C34H38O2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
PubChem CID19870927
Molecular FormulaC34H38O2
Molecular Weight478.68 g/mol
Exact Mass478.29
IUPAC Name2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
SMILESCCCCCC(c1cccc(C(C)c2ccccc2)c1O)c1cccc(C(C)c2ccccc2)c1O
InChIInChI=1S/C34H38O2/c1-4-5-8-19-30(31-22-13-20-28(33(31)35)24(2)26-15-9-6-10-16-26)32-23-14-21-29(34(32)36)25(3)27-17-11-7-12-18-27/h6-7,9-18,20-25,30,35-36H,4-5,8,19H2,1-3H3
InChIKeyAPQAYHCBPJINEZ-UHFFFAOYSA-N
XLogP9.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
2-(1-phenylnonyl)phenol
CID 67177643
2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596
4-tert-butyl-2-octadecan-2-yl-6-(1-phenylethyl)phenol
CID 18961297
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxyphenyl)hexyl]phenol
CID 15123945
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
2-(1-phenylpentyl)phenol
CID 19601156
3-[(1R)-1-aminohexyl]benzene-1,2-diol
CID 171200995
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
(1R)-1-phenyloctan-1-ol
CID 12794259
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol?
The IUPAC name of 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol (CID 19870927) is 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol?
The canonical SMILES for 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol is CCCCCC(c1cccc(C(C)c2ccccc2)c1O)c1cccc(C(C)c2ccccc2)c1O.
What is the InChIKey of 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol?
The InChIKey is APQAYHCBPJINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O2/c1-4-5-8-19-30(31-22-13-20-28(33(31)35)24(2)26-15-9-6-10-16-26)32-23-14-21-29(34(32)36)25(3)27-17-11-7-12-18-27/h6-7,9-18,20-25,30,35-36H,4-5,8,19H2,1-3H3.
What are the key properties of 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol?
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol has a molecular weight of 478.68 g/mol, XLogP of 9.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol is sourced from PubChem (CID 19870927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).