1-hexyl-3-propan-2-yloxybenzene

C15H24O — CID 159994008

IUPAC1-hexyl-3-propan-2-yloxybenzene
SMILESCCCCCCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H24O/c1-4-5-6-7-9-14-10-8-11-15(12-14)16-13(2)3/h8,10-13H,4-7,9H2,1-3H3
InChIKeyOHHTYDDLRQBQDO-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds7

About 1-hexyl-3-propan-2-yloxybenzene

1-hexyl-3-propan-2-yloxybenzene (PubChem CID 159994008) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-hexyl-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-hexyl-3-propan-2-yloxybenzene
PubChem CID159994008
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-hexyl-3-propan-2-yloxybenzene
SMILESCCCCCCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H24O/c1-4-5-6-7-9-14-10-8-11-15(12-14)16-13(2)3/h8,10-13H,4-7,9H2,1-3H3
InChIKeyOHHTYDDLRQBQDO-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hexyl-3-propan-2-yloxybenzene 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

1-methoxy-3-nonadecylbenzene
CID 154507578
1,3-di(tetradecyl)benzene
CID 91053224
1-(2-bromoethyl)-3-propan-2-yloxybenzene
CID 64867927
(3-pentylphenyl) octanoate;hydrobromide
CID 174977807
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774
1-(6-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 54090557
1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
CID 91551741
1-(3-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 173358957
4-(3-pentadecylphenoxy)butanamide
CID 22354511
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
(3-pentadecylphenyl) diphenyl phosphate
CID 101494107

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-propan-2-yloxybenzene?
The IUPAC name of 1-hexyl-3-propan-2-yloxybenzene (CID 159994008) is 1-hexyl-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-hexyl-3-propan-2-yloxybenzene?
The canonical SMILES for 1-hexyl-3-propan-2-yloxybenzene is CCCCCCc1cccc(OC(C)C)c1.
What is the InChIKey of 1-hexyl-3-propan-2-yloxybenzene?
The InChIKey is OHHTYDDLRQBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-5-6-7-9-14-10-8-11-15(12-14)16-13(2)3/h8,10-13H,4-7,9H2,1-3H3.
What are the key properties of 1-hexyl-3-propan-2-yloxybenzene?
1-hexyl-3-propan-2-yloxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-propan-2-yloxybenzene is sourced from PubChem (CID 159994008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).