1-(5-methylhexan-3-yl)-4-phenoxybenzene

C19H24O — CID 144899033

IUPAC1-(5-methylhexan-3-yl)-4-phenoxybenzene
SMILESCCC(CC(C)C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-4-16(14-15(2)3)17-10-12-19(13-11-17)20-18-8-6-5-7-9-18/h5-13,15-16H,4,14H2,1-3H3
InChIKeyMNUBTODYVYOWNE-UHFFFAOYSA-N
MW268.40 g/mol
LogP6.02
Rot. Bonds6

About 1-(5-methylhexan-3-yl)-4-phenoxybenzene

1-(5-methylhexan-3-yl)-4-phenoxybenzene (PubChem CID 144899033) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(5-methylhexan-3-yl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(5-methylhexan-3-yl)-4-phenoxybenzene
PubChem CID144899033
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-(5-methylhexan-3-yl)-4-phenoxybenzene
SMILESCCC(CC(C)C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24O/c1-4-16(14-15(2)3)17-10-12-19(13-11-17)20-18-8-6-5-7-9-18/h5-13,15-16H,4,14H2,1-3H3
InChIKeyMNUBTODYVYOWNE-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methylhexan-3-yl)-4-(1-phenylsulfanyloxyethoxy)benzene
CID 123706540
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
ethane;phenoxybenzene;propane
CID 90923491
1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 43489608
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
2-methylpropylalumane;phenoxybenzene
CID 175332476
1-[4-[4-(5-methylhexan-3-yl)phenoxy]but-2-enoxy]naphthalene
CID 123999587

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-3-yl)-4-phenoxybenzene?
The IUPAC name of 1-(5-methylhexan-3-yl)-4-phenoxybenzene (CID 144899033) is 1-(5-methylhexan-3-yl)-4-phenoxybenzene.
What is the SMILES notation for 1-(5-methylhexan-3-yl)-4-phenoxybenzene?
The canonical SMILES for 1-(5-methylhexan-3-yl)-4-phenoxybenzene is CCC(CC(C)C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(5-methylhexan-3-yl)-4-phenoxybenzene?
The InChIKey is MNUBTODYVYOWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-4-16(14-15(2)3)17-10-12-19(13-11-17)20-18-8-6-5-7-9-18/h5-13,15-16H,4,14H2,1-3H3.
What are the key properties of 1-(5-methylhexan-3-yl)-4-phenoxybenzene?
1-(5-methylhexan-3-yl)-4-phenoxybenzene has a molecular weight of 268.40 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-3-yl)-4-phenoxybenzene is sourced from PubChem (CID 144899033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).