4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol

C24H28O2 — CID 167157883

IUPAC4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol
SMILESCC#CC(C)COc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C24H28O2/c1-3-7-19(2)18-26-23-14-10-21(11-15-23)24(16-5-4-6-17-24)20-8-12-22(25)13-9-20/h8-15,19,25H,4-6,16-18H2,1-2H3
InChIKeyYUQZWGZUUGYVDD-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.68
Rot. Bonds5

About 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol

4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol (PubChem CID 167157883) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol
PubChem CID167157883
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol
SMILESCC#CC(C)COc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
InChIInChI=1S/C24H28O2/c1-3-7-19(2)18-26-23-14-10-21(11-15-23)24(16-5-4-6-17-24)20-8-12-22(25)13-9-20/h8-15,19,25H,4-6,16-18H2,1-2H3
InChIKeyYUQZWGZUUGYVDD-UHFFFAOYSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol;4-(4-hydroxyphenyl)phenol;sulfane
CID 67945027
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
2-methyl-1-[4-[1-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]propan-2-ol
CID 174340784
3,5-dimethylaniline;4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139063676
(2R)-1-[4-[1-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]cyclohexyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 66563084
2-[4-[1-(4-hydroxyphenyl)cyclohexyl]phenoxy]-2-methylbutanoic acid
CID 131877413
1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
CID 28937692
[4-[1-(4-hydroxyphenyl)cyclohexyl]phenyl] hexadecanoate
CID 71326288
1-prop-2-enoxy-4-[1-(4-prop-2-enoxyphenyl)cyclopentyl]benzene
CID 23117522

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol?
The IUPAC name of 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol (CID 167157883) is 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol.
What is the SMILES notation for 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol?
The canonical SMILES for 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol is CC#CC(C)COc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1.
What is the InChIKey of 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol?
The InChIKey is YUQZWGZUUGYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-3-7-19(2)18-26-23-14-10-21(11-15-23)24(16-5-4-6-17-24)20-8-12-22(25)13-9-20/h8-15,19,25H,4-6,16-18H2,1-2H3.
What are the key properties of 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol?
4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol has a molecular weight of 348.49 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-methylpent-3-ynoxy)phenyl]cyclohexyl]phenol is sourced from PubChem (CID 167157883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).