3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene

C18H27ClO — CID 63471491

IUPAC3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
SMILESCC(C)C1CCC(Cl)C(CCCOc2ccccc2)C1
InChIInChI=1S/C18H27ClO/c1-14(2)15-10-11-18(19)16(13-15)7-6-12-20-17-8-4-3-5-9-17/h3-5,8-9,14-16,18H,6-7,10-13H2,1-2H3
InChIKeyZVKWKNNUGMRDCJ-UHFFFAOYSA-N
MW294.87 g/mol
LogP5.53
Rot. Bonds6

About 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene

3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene (PubChem CID 63471491) has the molecular formula C18H27ClO and a molecular weight of 294.87 g/mol. Its IUPAC name is 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene.

Molecular Properties

Compound Name3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
PubChem CID63471491
Molecular FormulaC18H27ClO
Molecular Weight294.87 g/mol
Exact Mass294.18
IUPAC Name3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
SMILESCC(C)C1CCC(Cl)C(CCCOc2ccccc2)C1
InChIInChI=1S/C18H27ClO/c1-14(2)15-10-11-18(19)16(13-15)7-6-12-20-17-8-4-3-5-9-17/h3-5,8-9,14-16,18H,6-7,10-13H2,1-2H3
InChIKeyZVKWKNNUGMRDCJ-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.87
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene
CID 63459706
1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
CID 106456044
1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
CID 55191506
bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate
CID 53327852
(5-bromo-5-cyclopropylpentoxy)benzene
CID 63470935
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
CID 81010417
3-(2-bromo-5-propan-2-ylcyclohexyl)propylbenzene
CID 63473396
2-(3-phenoxypropyl)oxirane
CID 23468414

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene?
The IUPAC name of 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene (CID 63471491) is 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene.
What is the SMILES notation for 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene?
The canonical SMILES for 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene is CC(C)C1CCC(Cl)C(CCCOc2ccccc2)C1.
What is the InChIKey of 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene?
The InChIKey is ZVKWKNNUGMRDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClO/c1-14(2)15-10-11-18(19)16(13-15)7-6-12-20-17-8-4-3-5-9-17/h3-5,8-9,14-16,18H,6-7,10-13H2,1-2H3.
What are the key properties of 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene?
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene has a molecular weight of 294.87 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene is sourced from PubChem (CID 63471491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).