butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol

C21H40O2 — CID 143474239

IUPACbutane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
SMILESCC.CCC1CCCC1.CCCC.COc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.C7H14.C4H10.C2H6/c1-10-8-4-2-7(6-9)3-5-8;1-2-7-5-3-4-6-7;1-3-4-2;1-2/h2-5,9H,6H2,1H3;7H,2-6H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyFAYMTQGLROOJOR-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.61
Rot. Bonds4

About butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol

butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol (PubChem CID 143474239) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol.

Molecular Properties

Compound Namebutane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
PubChem CID143474239
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Namebutane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
SMILESCC.CCC1CCCC1.CCCC.COc1ccc(CO)cc1
InChIInChI=1S/C8H10O2.C7H14.C4H10.C2H6/c1-10-8-4-2-7(6-9)3-5-8;1-2-7-5-3-4-6-7;1-3-4-2;1-2/h2-5,9H,6H2,1H3;7H,2-6H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyFAYMTQGLROOJOR-UHFFFAOYSA-N
XLogP6.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
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1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
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[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
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1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
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Frequently Asked Questions

What is the IUPAC name of butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol?
The IUPAC name of butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol (CID 143474239) is butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol.
What is the SMILES notation for butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol?
The canonical SMILES for butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol is CC.CCC1CCCC1.CCCC.COc1ccc(CO)cc1.
What is the InChIKey of butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol?
The InChIKey is FAYMTQGLROOJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H14.C4H10.C2H6/c1-10-8-4-2-7(6-9)3-5-8;1-2-7-5-3-4-6-7;1-3-4-2;1-2/h2-5,9H,6H2,1H3;7H,2-6H2,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol?
butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol has a molecular weight of 324.55 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol is sourced from PubChem (CID 143474239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).