[3-methylpentoxy(phenyl)methyl]benzene

C19H24O — CID 123899731

IUPAC[3-methylpentoxy(phenyl)methyl]benzene
SMILESCCC(C)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-3-16(2)14-15-20-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19H,3,14-15H2,1-2H3
InChIKeyJLVACFFBCGYBHY-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.23
Rot. Bonds7

About [3-methylpentoxy(phenyl)methyl]benzene

[3-methylpentoxy(phenyl)methyl]benzene (PubChem CID 123899731) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is [3-methylpentoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name[3-methylpentoxy(phenyl)methyl]benzene
PubChem CID123899731
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name[3-methylpentoxy(phenyl)methyl]benzene
SMILESCCC(C)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-3-16(2)14-15-20-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19H,3,14-15H2,1-2H3
InChIKeyJLVACFFBCGYBHY-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
3-benzhydryloxypropylbenzene
CID 11255103
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
CID 57070167
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
2-[[3,5-bis(1-phenylethyl)phenyl]-phenylmethoxy]ethyl 2-methylbutanoate
CID 58426751
10-methyldodecoxybenzene
CID 143389992
N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
CID 3050418
(2R)-N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
CID 76964662
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362

Frequently Asked Questions

What is the IUPAC name of [3-methylpentoxy(phenyl)methyl]benzene?
The IUPAC name of [3-methylpentoxy(phenyl)methyl]benzene (CID 123899731) is [3-methylpentoxy(phenyl)methyl]benzene.
What is the SMILES notation for [3-methylpentoxy(phenyl)methyl]benzene?
The canonical SMILES for [3-methylpentoxy(phenyl)methyl]benzene is CCC(C)CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-methylpentoxy(phenyl)methyl]benzene?
The InChIKey is JLVACFFBCGYBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-16(2)14-15-20-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19H,3,14-15H2,1-2H3.
What are the key properties of [3-methylpentoxy(phenyl)methyl]benzene?
[3-methylpentoxy(phenyl)methyl]benzene has a molecular weight of 268.40 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylpentoxy(phenyl)methyl]benzene is sourced from PubChem (CID 123899731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).