2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene

C26H32O2 — CID 57298170

IUPAC2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene
SMILESCCCC(C#Cc1ccccc1)(CC)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C26H32O2/c1-4-18-26(5-2,19-17-21-11-7-6-8-12-21)22-15-16-24(27-3)25(20-22)28-23-13-9-10-14-23/h6-8,11-12,15-16,20,23H,4-5,9-10,13-14,18H2,1-3H3
InChIKeyYHYOJHKAHXKOGD-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.52
Rot. Bonds7

About 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene

2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene (PubChem CID 57298170) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene.

Molecular Properties

Compound Name2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene
PubChem CID57298170
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene
SMILESCCCC(C#Cc1ccccc1)(CC)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C26H32O2/c1-4-18-26(5-2,19-17-21-11-7-6-8-12-21)22-15-16-24(27-3)25(20-22)28-23-13-9-10-14-23/h6-8,11-12,15-16,20,23H,4-5,9-10,13-14,18H2,1-3H3
InChIKeyYHYOJHKAHXKOGD-UHFFFAOYSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynoic acid
CID 70066184
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-5-phenylpent-4-ynamide
CID 56987832
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-5-phenylpent-4-ynamide
CID 57235125
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
CID 19349937
3-(3-cyclobutyloxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117446285
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
CID 54555142
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-phenylethynyl)cyclohexan-1-one
CID 15392008
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-oxobutanamide
CID 54216808
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-methyl-1,2,4-thiadiazole
CID 54196783
tert-butyl N-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-phenylethynyl)cyclobutyl]carbamate
CID 20638963
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-5-methyl-1,3-oxazole
CID 54104552
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene?
The IUPAC name of 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene (CID 57298170) is 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene.
What is the SMILES notation for 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene?
The canonical SMILES for 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene is CCCC(C#Cc1ccccc1)(CC)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene?
The InChIKey is YHYOJHKAHXKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2/c1-4-18-26(5-2,19-17-21-11-7-6-8-12-21)22-15-16-24(27-3)25(20-22)28-23-13-9-10-14-23/h6-8,11-12,15-16,20,23H,4-5,9-10,13-14,18H2,1-3H3.
What are the key properties of 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene?
2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene has a molecular weight of 376.54 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-(3-ethyl-1-phenylhex-1-yn-3-yl)-1-methoxybenzene is sourced from PubChem (CID 57298170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).