1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene

C16H19ClO — CID 54923422

IUPAC1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene
SMILESClCCC#Cc1ccccc1OC1CCCCC1
InChIInChI=1S/C16H19ClO/c17-13-7-6-9-14-8-4-5-12-16(14)18-15-10-2-1-3-11-15/h4-5,8,12,15H,1-3,7,10-11,13H2
InChIKeyRWVYCSYEJIDPAQ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.38
Rot. Bonds3

About 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene

1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene (PubChem CID 54923422) has the molecular formula C16H19ClO and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene.

Molecular Properties

Compound Name1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene
PubChem CID54923422
Molecular FormulaC16H19ClO
Molecular Weight262.78 g/mol
Exact Mass262.11
IUPAC Name1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene
SMILESClCCC#Cc1ccccc1OC1CCCCC1
InChIInChI=1S/C16H19ClO/c17-13-7-6-9-14-8-4-5-12-16(14)18-15-10-2-1-3-11-15/h4-5,8,12,15H,1-3,7,10-11,13H2
InChIKeyRWVYCSYEJIDPAQ-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloroprop-1-ynyl)phenoxy]cycloheptane
CID 82922579
[2-(4-chlorobut-1-ynyl)-4-methylphenoxy]cycloheptane
CID 82922580
1-(4-chlorobut-1-ynyl)-2-(cyclopentylmethoxy)benzene
CID 63418341
[5-(4-chlorobut-1-ynyl)-2-fluorophenoxy]cycloheptane
CID 114675581
[4-(4-chlorobut-1-ynyl)phenoxy]cycloheptane
CID 82922202
1,2-dicyclohexyloxybenzene
CID 67331328
1-(4-chlorobut-1-ynyl)-4-cyclopentyloxy-2-methylbenzene
CID 83134964
4-[2-(3,4-dimethylcyclohexyl)oxyphenyl]but-3-yn-1-ol
CID 64738050
2-[2-(4-chlorobut-1-ynyl)phenoxy]acetic acid
CID 170468289
2-(4-chlorobut-1-ynyl)-1-(3,4-dimethylcyclohexyl)oxy-4-methylbenzene
CID 64739060
1-(4-chlorobut-1-ynyl)-2-[(4-ethylphenyl)methoxy]benzene
CID 63418343
2-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]benzonitrile
CID 60802071

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene?
The IUPAC name of 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene (CID 54923422) is 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene.
What is the SMILES notation for 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene?
The canonical SMILES for 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene is ClCCC#Cc1ccccc1OC1CCCCC1.
What is the InChIKey of 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene?
The InChIKey is RWVYCSYEJIDPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO/c17-13-7-6-9-14-8-4-5-12-16(14)18-15-10-2-1-3-11-15/h4-5,8,12,15H,1-3,7,10-11,13H2.
What are the key properties of 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene?
1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene has a molecular weight of 262.78 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-1-ynyl)-2-cyclohexyloxybenzene is sourced from PubChem (CID 54923422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).