1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene

C16H21ClO — CID 91381160

IUPAC1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene
SMILESCC=C(Cl)OCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21ClO/c1-2-16(17)18-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h2,8-11,14H,3-7,12H2,1H3
InChIKeyWAQJJZUFPYMWML-UHFFFAOYSA-N
MW264.80 g/mol
LogP5.35
Rot. Bonds4

About 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene

1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene (PubChem CID 91381160) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene.

Molecular Properties

Compound Name1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene
PubChem CID91381160
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene
SMILESCC=C(Cl)OCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21ClO/c1-2-16(17)18-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h2,8-11,14H,3-7,12H2,1H3
InChIKeyWAQJJZUFPYMWML-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.80
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4-cyclohexylphenyl)methanamine
CID 22246867
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158
(4-cyclohexylphenyl)-dideuteriomethanol
CID 162410552
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
5-(4-cyclohexylphenyl)-3,3-dimethylpentan-1-amine
CID 65300733
(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281286
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene?
The IUPAC name of 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene (CID 91381160) is 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene.
What is the SMILES notation for 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene?
The canonical SMILES for 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene is CC=C(Cl)OCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene?
The InChIKey is WAQJJZUFPYMWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-2-16(17)18-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h2,8-11,14H,3-7,12H2,1H3.
What are the key properties of 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene?
1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene has a molecular weight of 264.80 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroprop-1-enoxymethyl)-4-cyclohexylbenzene is sourced from PubChem (CID 91381160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).