4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene

C66H64O7 — CID 158482476

IUPAC4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene
SMILESCOCCOCOCCCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(OCc4ccccc4)cc3)c2)cc1.OCCCc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C39H40O4.C27H24O3/c1-30-10-14-33(15-11-30)36-25-37(34-16-12-31(13-17-34)9-6-22-41-29-42-24-23-40-2)27-38(26-36)35-18-20-39(21-19-35)43-28-32-7-4-3-5-8-32;28-15-1-2-19-3-5-20(6-4-19)23-16-24(21-7-11-26(29)12-8-21)18-25(17-23)22-9-13-27(30)14-10-22/h3-5,7-8,10-21,25-27H,6,9,22-24,28-29H2,1-2H3;3-14,16-18,28-30H,1-2,15H2
InChIKeyHHRMSIMKAJBMEB-UHFFFAOYSA-N
MW969.23 g/mol
LogP15.17
Rot. Bonds21

About 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene

4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene (PubChem CID 158482476) has the molecular formula C66H64O7 and a molecular weight of 969.23 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene
PubChem CID158482476
Molecular FormulaC66H64O7
Molecular Weight969.23 g/mol
Exact Mass968.47
IUPAC Name4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene
SMILESCOCCOCOCCCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(OCc4ccccc4)cc3)c2)cc1.OCCCc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C39H40O4.C27H24O3/c1-30-10-14-33(15-11-30)36-25-37(34-16-12-31(13-17-34)9-6-22-41-29-42-24-23-40-2)27-38(26-36)35-18-20-39(21-19-35)43-28-32-7-4-3-5-8-32;28-15-1-2-19-3-5-20(6-4-19)23-16-24(21-7-11-26(29)12-8-21)18-25(17-23)22-9-13-27(30)14-10-22/h3-5,7-8,10-21,25-27H,6,9,22-24,28-29H2,1-2H3;3-14,16-18,28-30H,1-2,15H2
InChIKeyHHRMSIMKAJBMEB-UHFFFAOYSA-N
XLogP15.17
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.23
LogP ≤ 515.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene with MolForge

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Related Compounds

1,3-bis(4-butoxyphenyl)-5-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]benzene
CID 121286376
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
CID 102343472
1-(2-methoxyethyl)-3-[3-(4-phenylmethoxyphenyl)propyl]urea
CID 110421761
3-[4-[2-[2-[2-[4-[tris(4-methylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-1-ol
CID 11721571
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene
CID 118944139
1-[4-[6-[4-[4-(6-bromohexoxy)phenyl]phenyl]hexyl]phenyl]-3,5-bis(phenylmethoxy)benzene
CID 102386596
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene (CID 158482476) is 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene is COCCOCOCCCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(OCc4ccccc4)cc3)c2)cc1.OCCCc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene?
The InChIKey is HHRMSIMKAJBMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O4.C27H24O3/c1-30-10-14-33(15-11-30)36-25-37(34-16-12-31(13-17-34)9-6-22-41-29-42-24-23-40-2)27-38(26-36)35-18-20-39(21-19-35)43-28-32-7-4-3-5-8-32;28-15-1-2-19-3-5-20(6-4-19)23-16-24(21-7-11-26(29)12-8-21)18-25(17-23)22-9-13-27(30)14-10-22/h3-5,7-8,10-21,25-27H,6,9,22-24,28-29H2,1-2H3;3-14,16-18,28-30H,1-2,15H2.
What are the key properties of 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene?
4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene has a molecular weight of 969.23 g/mol, XLogP of 15.17, 21 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-5-[4-(3-hydroxypropyl)phenyl]phenyl]phenol;1-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]-3-(4-methylphenyl)-5-(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 158482476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).