2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene

C39H54O6 — CID 158580176

IUPAC2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene
SMILESCCc1ccc(OC)c(OC2CCCC2)c1.COc1ccc(C)cc1OC1CCCC1.COc1ccc(C)cc1OCC1CC1
InChIInChI=1S/C14H20O2.C13H18O2.C12H16O2/c1-3-11-8-9-13(15-2)14(10-11)16-12-6-4-5-7-12;1-10-7-8-12(14-2)13(9-10)15-11-5-3-4-6-11;1-9-3-6-11(13-2)12(7-9)14-8-10-4-5-10/h8-10,12H,3-7H2,1-2H3;7-9,11H,3-6H2,1-2H3;3,6-7,10H,4-5,8H2,1-2H3
InChIKeyHTDQWXSBUWDRCO-UHFFFAOYSA-N
MW618.86 g/mol
LogP9.70
Rot. Bonds11

About 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene

2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene (PubChem CID 158580176) has the molecular formula C39H54O6 and a molecular weight of 618.86 g/mol. Its IUPAC name is 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene
PubChem CID158580176
Molecular FormulaC39H54O6
Molecular Weight618.86 g/mol
Exact Mass618.39
IUPAC Name2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene
SMILESCCc1ccc(OC)c(OC2CCCC2)c1.COc1ccc(C)cc1OC1CCCC1.COc1ccc(C)cc1OCC1CC1
InChIInChI=1S/C14H20O2.C13H18O2.C12H16O2/c1-3-11-8-9-13(15-2)14(10-11)16-12-6-4-5-7-12;1-10-7-8-12(14-2)13(9-10)15-11-5-3-4-6-11;1-9-3-6-11(13-2)12(7-9)14-8-10-4-5-10/h8-10,12H,3-7H2,1-2H3;7-9,11H,3-6H2,1-2H3;3,6-7,10H,4-5,8H2,1-2H3
InChIKeyHTDQWXSBUWDRCO-UHFFFAOYSA-N
XLogP9.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
2-cyclopentyloxy-4-ethyl-1-methylbenzene
CID 121457691
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
CID 145385406
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene?
The IUPAC name of 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene (CID 158580176) is 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene is CCc1ccc(OC)c(OC2CCCC2)c1.COc1ccc(C)cc1OC1CCCC1.COc1ccc(C)cc1OCC1CC1.
What is the InChIKey of 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene?
The InChIKey is HTDQWXSBUWDRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C13H18O2.C12H16O2/c1-3-11-8-9-13(15-2)14(10-11)16-12-6-4-5-7-12;1-10-7-8-12(14-2)13(9-10)15-11-5-3-4-6-11;1-9-3-6-11(13-2)12(7-9)14-8-10-4-5-10/h8-10,12H,3-7H2,1-2H3;7-9,11H,3-6H2,1-2H3;3,6-7,10H,4-5,8H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene?
2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene has a molecular weight of 618.86 g/mol, XLogP of 9.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4-ethyl-1-methoxybenzene;2-cyclopentyloxy-1-methoxy-4-methylbenzene;2-(cyclopropylmethoxy)-1-methoxy-4-methylbenzene is sourced from PubChem (CID 158580176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).