1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene

C24H34O — CID 142206830

IUPAC1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene
SMILESCCCCCCc1ccc(CC(C)=O)c(C)c1.Cc1ccc(C)cc1
InChIInChI=1S/C16H24O.C8H10/c1-4-5-6-7-8-15-9-10-16(12-14(3)17)13(2)11-15;1-7-3-5-8(2)6-4-7/h9-11H,4-8,12H2,1-3H3;3-6H,1-2H3
InChIKeyBVSBXMMNLVINPN-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.55
Rot. Bonds7

About 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene

1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene (PubChem CID 142206830) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene.

Molecular Properties

Compound Name1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene
PubChem CID142206830
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene
SMILESCCCCCCc1ccc(CC(C)=O)c(C)c1.Cc1ccc(C)cc1
InChIInChI=1S/C16H24O.C8H10/c1-4-5-6-7-8-15-9-10-16(12-14(3)17)13(2)11-15;1-7-3-5-8(2)6-4-7/h9-11H,4-8,12H2,1-3H3;3-6H,1-2H3
InChIKeyBVSBXMMNLVINPN-UHFFFAOYSA-N
XLogP6.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
1-methyl-4-octylbenzene
CID 11052746
4-hexadecyl-2-methylbenzoic acid
CID 57019926
1,2-dimethyl-4-octylbenzene
CID 14044616
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-methyl-4-octadecylphenol
CID 3022311
2-ethyl-5-nonylphenol
CID 54394722

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene?
The IUPAC name of 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene (CID 142206830) is 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene.
What is the SMILES notation for 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene?
The canonical SMILES for 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene is CCCCCCc1ccc(CC(C)=O)c(C)c1.Cc1ccc(C)cc1.
What is the InChIKey of 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene?
The InChIKey is BVSBXMMNLVINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.C8H10/c1-4-5-6-7-8-15-9-10-16(12-14(3)17)13(2)11-15;1-7-3-5-8(2)6-4-7/h9-11H,4-8,12H2,1-3H3;3-6H,1-2H3.
What are the key properties of 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene?
1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene has a molecular weight of 338.54 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene is sourced from PubChem (CID 142206830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).