1-ethoxy-4-(4-methylpentan-2-yl)benzene

C14H22O — CID 57011514

IUPAC1-ethoxy-4-(4-methylpentan-2-yl)benzene
SMILESCCOc1ccc(C(C)CC(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-15-14-8-6-13(7-9-14)12(4)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyPCVYCKRYHUMHTQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.23
Rot. Bonds5

About 1-ethoxy-4-(4-methylpentan-2-yl)benzene

1-ethoxy-4-(4-methylpentan-2-yl)benzene (PubChem CID 57011514) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethoxy-4-(4-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(4-methylpentan-2-yl)benzene
PubChem CID57011514
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-ethoxy-4-(4-methylpentan-2-yl)benzene
SMILESCCOc1ccc(C(C)CC(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-15-14-8-6-13(7-9-14)12(4)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyPCVYCKRYHUMHTQ-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540
2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
1-ethoxy-4-[(Z)-hex-4-en-2-yl]benzene
CID 83932237
[(1S)-1-(4-ethoxyphenyl)ethyl]azanium chloride
CID 89251854
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
CID 174342674
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852912
amino-(4-ethoxyphenyl)methanol
CID 116939610
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-methylpentan-2-yl)benzene?
The IUPAC name of 1-ethoxy-4-(4-methylpentan-2-yl)benzene (CID 57011514) is 1-ethoxy-4-(4-methylpentan-2-yl)benzene.
What is the SMILES notation for 1-ethoxy-4-(4-methylpentan-2-yl)benzene?
The canonical SMILES for 1-ethoxy-4-(4-methylpentan-2-yl)benzene is CCOc1ccc(C(C)CC(C)C)cc1.
What is the InChIKey of 1-ethoxy-4-(4-methylpentan-2-yl)benzene?
The InChIKey is PCVYCKRYHUMHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-15-14-8-6-13(7-9-14)12(4)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 1-ethoxy-4-(4-methylpentan-2-yl)benzene?
1-ethoxy-4-(4-methylpentan-2-yl)benzene has a molecular weight of 206.33 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-methylpentan-2-yl)benzene is sourced from PubChem (CID 57011514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).