1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene

C29H30O2 — CID 20724029

IUPAC1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene
SMILESC(#Cc1ccc(CCC2CCC(OCOc3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H30O2/c1-3-7-24(8-4-1)11-12-25-13-15-26(16-14-25)17-18-27-19-21-29(22-20-27)31-23-30-28-9-5-2-6-10-28/h1-10,13-16,27,29H,17-23H2
InChIKeyFUWUCZXUCIYDPN-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.63
Rot. Bonds7

About 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene

1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene (PubChem CID 20724029) has the molecular formula C29H30O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene.

Molecular Properties

Compound Name1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene
PubChem CID20724029
Molecular FormulaC29H30O2
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Name1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene
SMILESC(#Cc1ccc(CCC2CCC(OCOc3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H30O2/c1-3-7-24(8-4-1)11-12-25-13-15-26(16-14-25)17-18-27-19-21-29(22-20-27)31-23-30-28-9-5-2-6-10-28/h1-10,13-16,27,29H,17-23H2
InChIKeyFUWUCZXUCIYDPN-UHFFFAOYSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene 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

2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
CID 20724099
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
[4-(cyclohexyloxymethoxy)phenyl] 4-(2-phenylethynyl)benzoate
CID 20724299
1-[2-(4-ethylcyclohexyl)ethyl]-4-(6-phenylhex-1-ynyl)benzene
CID 22067216
phenyl 4-[2-[4-(cyclohexyloxymethoxy)phenyl]ethyl]benzoate
CID 20724447
4-chloro-2-fluoro-1-[2-[4-[2-[4-[(E)-prop-1-enoxy]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 139807608
1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 173394271
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
2-bromo-4-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]-1-ethoxybenzene
CID 139762038
4-[2-(4-ethenylcyclohexyl)ethyl]-2-fluoro-1-(2-phenylethynyl)benzene
CID 89022904
1-(ethenoxymethoxymethyl)-4-[2-[4-[2-[4-[2-[4-(ethenoxymethoxymethyl)cyclohexyl]ethyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 91438037
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene?
The IUPAC name of 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene (CID 20724029) is 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene.
What is the SMILES notation for 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene?
The canonical SMILES for 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene is C(#Cc1ccc(CCC2CCC(OCOc3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene?
The InChIKey is FUWUCZXUCIYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O2/c1-3-7-24(8-4-1)11-12-25-13-15-26(16-14-25)17-18-27-19-21-29(22-20-27)31-23-30-28-9-5-2-6-10-28/h1-10,13-16,27,29H,17-23H2.
What are the key properties of 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene?
1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene has a molecular weight of 410.56 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(phenoxymethoxy)cyclohexyl]ethyl]-4-(2-phenylethynyl)benzene is sourced from PubChem (CID 20724029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).