4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol

C38H34O4 — CID 163680281

IUPAC4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol
SMILESOc1ccc(C2=CC=C(c3ccc(OCCCCOc4ccc(C5=CC=C(c6ccc(O)cc6)C5)cc4)cc3)C2)cc1
InChIInChI=1S/C38H34O4/c39-35-15-7-27(8-16-35)31-3-5-33(25-31)29-11-19-37(20-12-29)41-23-1-2-24-42-38-21-13-30(14-22-38)34-6-4-32(26-34)28-9-17-36(40)18-10-28/h3-22,39-40H,1-2,23-26H2
InChIKeyJKGBUPQMKNUSNM-UHFFFAOYSA-N
MW554.69 g/mol
LogP9.08
Rot. Bonds11

About 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol

4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol (PubChem CID 163680281) has the molecular formula C38H34O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol
PubChem CID163680281
Molecular FormulaC38H34O4
Molecular Weight554.69 g/mol
Exact Mass554.25
IUPAC Name4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol
SMILESOc1ccc(C2=CC=C(c3ccc(OCCCCOc4ccc(C5=CC=C(c6ccc(O)cc6)C5)cc4)cc3)C2)cc1
InChIInChI=1S/C38H34O4/c39-35-15-7-27(8-16-35)31-3-5-33(25-31)29-11-19-37(20-12-29)41-23-1-2-24-42-38-21-13-30(14-22-38)34-6-4-32(26-34)28-9-17-36(40)18-10-28/h3-22,39-40H,1-2,23-26H2
InChIKeyJKGBUPQMKNUSNM-UHFFFAOYSA-N
XLogP9.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol
CID 174516369
4-octadecoxyphenol
CID 22179059
methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
CID 139088543
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
4-oct-7-ynoxyphenol
CID 166068897
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol?
The IUPAC name of 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol (CID 163680281) is 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol.
What is the SMILES notation for 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol?
The canonical SMILES for 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol is Oc1ccc(C2=CC=C(c3ccc(OCCCCOc4ccc(C5=CC=C(c6ccc(O)cc6)C5)cc4)cc3)C2)cc1.
What is the InChIKey of 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol?
The InChIKey is JKGBUPQMKNUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34O4/c39-35-15-7-27(8-16-35)31-3-5-33(25-31)29-11-19-37(20-12-29)41-23-1-2-24-42-38-21-13-30(14-22-38)34-6-4-32(26-34)28-9-17-36(40)18-10-28/h3-22,39-40H,1-2,23-26H2.
What are the key properties of 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol?
4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol has a molecular weight of 554.69 g/mol, XLogP of 9.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)cyclopenta-1,3-dien-1-yl]phenoxy]butoxy]phenyl]cyclopenta-1,3-dien-1-yl]phenol is sourced from PubChem (CID 163680281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).