4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol

C25H34O2 — CID 59289752

IUPAC4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCCC2)cc1
InChIInChI=1S/C25H34O2/c26-23-15-11-21(12-16-23)25(22-13-17-24(27)18-14-22)19-9-7-5-3-1-2-4-6-8-10-20-25/h11-18,26-27H,1-10,19-20H2
InChIKeyBYVTWTWCIKDJOK-UHFFFAOYSA-N
MW366.54 g/mol
LogP7.08
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol

4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol (PubChem CID 59289752) has the molecular formula C25H34O2 and a molecular weight of 366.54 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
PubChem CID59289752
Molecular FormulaC25H34O2
Molecular Weight366.54 g/mol
Exact Mass366.26
IUPAC Name4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCCC2)cc1
InChIInChI=1S/C25H34O2/c26-23-15-11-21(12-16-23)25(22-13-17-24(27)18-14-22)19-9-7-5-3-1-2-4-6-8-10-20-25/h11-18,26-27H,1-10,19-20H2
InChIKeyBYVTWTWCIKDJOK-UHFFFAOYSA-N
XLogP7.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol (CID 59289752) is 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol is Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCCC2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol?
The InChIKey is BYVTWTWCIKDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c26-23-15-11-21(12-16-23)25(22-13-17-24(27)18-14-22)19-9-7-5-3-1-2-4-6-8-10-20-25/h11-18,26-27H,1-10,19-20H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol?
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol has a molecular weight of 366.54 g/mol, XLogP of 7.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol is sourced from PubChem (CID 59289752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).