ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol

C28H42O2 — CID 144989464

IUPACethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
SMILESCC.Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCCCC2)cc1
InChIInChI=1S/C26H36O2.C2H6/c27-24-16-12-22(13-17-24)26(23-14-18-25(28)19-15-23)20-10-8-6-4-2-1-3-5-7-9-11-21-26;1-2/h12-19,27-28H,1-11,20-21H2;1-2H3
InChIKeyICMZITWCDHWPHS-UHFFFAOYSA-N
MW410.64 g/mol
LogP8.49
Rot. Bonds2

About ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol

ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol (PubChem CID 144989464) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol.

Molecular Properties

Compound Nameethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
PubChem CID144989464
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Nameethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
SMILESCC.Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCCCC2)cc1
InChIInChI=1S/C26H36O2.C2H6/c27-24-16-12-22(13-17-24)26(23-14-18-25(28)19-15-23)20-10-8-6-4-2-1-3-5-7-9-11-21-26;1-2/h12-19,27-28H,1-11,20-21H2;1-2H3
InChIKeyICMZITWCDHWPHS-UHFFFAOYSA-N
XLogP8.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]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

4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
CID 67945027
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139063676
(Z)-4-hydroxypent-3-en-2-one;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;hydrate
CID 139195469
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
4-[1,2,2-tris(4-hydroxyphenyl)cyclododecyl]phenol
CID 174963277
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
CID 73292792
CID 73292792
4-(1-methoxycyclohexyl)phenol
CID 115024750
adamantane;ethane;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol;bis(4-methylphenol)
CID 161210735
2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methylbutanoic acid
CID 131877413
4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol
CID 167157883

Frequently Asked Questions

What is the IUPAC name of ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol?
The IUPAC name of ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol (CID 144989464) is ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol.
What is the SMILES notation for ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol?
The canonical SMILES for ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol is CC.Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCCCC2)cc1.
What is the InChIKey of ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol?
The InChIKey is ICMZITWCDHWPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O2.C2H6/c27-24-16-12-22(13-17-24)26(23-14-18-25(28)19-15-23)20-10-8-6-4-2-1-3-5-7-9-11-21-26;1-2/h12-19,27-28H,1-11,20-21H2;1-2H3.
What are the key properties of ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol?
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol has a molecular weight of 410.64 g/mol, XLogP of 8.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol is sourced from PubChem (CID 144989464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).