1-methoxy-4-(2-methylheptan-3-yl)benzene

C15H24O — CID 54213021

IUPAC1-methoxy-4-(2-methylheptan-3-yl)benzene
SMILESCCCCC(c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H24O/c1-5-6-7-15(12(2)3)13-8-10-14(16-4)11-9-13/h8-12,15H,5-7H2,1-4H3
InChIKeyGBYXARZWIXGTTD-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.62
Rot. Bonds6

About 1-methoxy-4-(2-methylheptan-3-yl)benzene

1-methoxy-4-(2-methylheptan-3-yl)benzene (PubChem CID 54213021) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylheptan-3-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylheptan-3-yl)benzene
PubChem CID54213021
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methoxy-4-(2-methylheptan-3-yl)benzene
SMILESCCCCC(c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H24O/c1-5-6-7-15(12(2)3)13-8-10-14(16-4)11-9-13/h8-12,15H,5-7H2,1-4H3
InChIKeyGBYXARZWIXGTTD-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
4-(2-methylheptan-3-yl)phenol
CID 174396505
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylheptan-3-yl)benzene?
The IUPAC name of 1-methoxy-4-(2-methylheptan-3-yl)benzene (CID 54213021) is 1-methoxy-4-(2-methylheptan-3-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-methylheptan-3-yl)benzene?
The canonical SMILES for 1-methoxy-4-(2-methylheptan-3-yl)benzene is CCCCC(c1ccc(OC)cc1)C(C)C.
What is the InChIKey of 1-methoxy-4-(2-methylheptan-3-yl)benzene?
The InChIKey is GBYXARZWIXGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-6-7-15(12(2)3)13-8-10-14(16-4)11-9-13/h8-12,15H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-4-(2-methylheptan-3-yl)benzene?
1-methoxy-4-(2-methylheptan-3-yl)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylheptan-3-yl)benzene is sourced from PubChem (CID 54213021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).