1-(4-cyclopropylbutyl)-3-phenoxybenzene

C19H22O — CID 150391471

IUPAC1-(4-cyclopropylbutyl)-3-phenoxybenzene
SMILESc1ccc(Oc2cccc(CCCCC3CC3)c2)cc1
InChIInChI=1S/C19H22O/c1-2-10-18(11-3-1)20-19-12-6-9-17(15-19)8-5-4-7-16-13-14-16/h1-3,6,9-12,15-16H,4-5,7-8,13-14H2
InChIKeyHBUIYEKFFVXZRJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.60
Rot. Bonds7

About 1-(4-cyclopropylbutyl)-3-phenoxybenzene

1-(4-cyclopropylbutyl)-3-phenoxybenzene (PubChem CID 150391471) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-cyclopropylbutyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(4-cyclopropylbutyl)-3-phenoxybenzene
PubChem CID150391471
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-(4-cyclopropylbutyl)-3-phenoxybenzene
SMILESc1ccc(Oc2cccc(CCCCC3CC3)c2)cc1
InChIInChI=1S/C19H22O/c1-2-10-18(11-3-1)20-19-12-6-9-17(15-19)8-5-4-7-16-13-14-16/h1-3,6,9-12,15-16H,4-5,7-8,13-14H2
InChIKeyHBUIYEKFFVXZRJ-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
4-cyclopropylbutylbenzene
CID 10261592
5-cyclopropylpentylbenzene
CID 91089836
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
1-phenoxy-3-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 161260281
1-methoxy-3-[4-(4-phenylbutyl)cyclohexyl]benzene
CID 143036080
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylbutyl)-3-phenoxybenzene?
The IUPAC name of 1-(4-cyclopropylbutyl)-3-phenoxybenzene (CID 150391471) is 1-(4-cyclopropylbutyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(4-cyclopropylbutyl)-3-phenoxybenzene?
The canonical SMILES for 1-(4-cyclopropylbutyl)-3-phenoxybenzene is c1ccc(Oc2cccc(CCCCC3CC3)c2)cc1.
What is the InChIKey of 1-(4-cyclopropylbutyl)-3-phenoxybenzene?
The InChIKey is HBUIYEKFFVXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-10-18(11-3-1)20-19-12-6-9-17(15-19)8-5-4-7-16-13-14-16/h1-3,6,9-12,15-16H,4-5,7-8,13-14H2.
What are the key properties of 1-(4-cyclopropylbutyl)-3-phenoxybenzene?
1-(4-cyclopropylbutyl)-3-phenoxybenzene has a molecular weight of 266.38 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylbutyl)-3-phenoxybenzene is sourced from PubChem (CID 150391471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).