1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene

C19H29ClO — CID 63520591

IUPAC1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
SMILESCOc1ccc(CC(Cl)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29ClO/c1-19(2,3)16-9-7-15(8-10-16)18(20)13-14-5-11-17(21-4)12-6-14/h5-6,11-12,15-16,18H,7-10,13H2,1-4H3
InChIKeyFCNYBXIAIZHUGK-UHFFFAOYSA-N
MW308.89 g/mol
LogP5.70
Rot. Bonds4

About 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene

1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene (PubChem CID 63520591) has the molecular formula C19H29ClO and a molecular weight of 308.89 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
PubChem CID63520591
Molecular FormulaC19H29ClO
Molecular Weight308.89 g/mol
Exact Mass308.19
IUPAC Name1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
SMILESCOc1ccc(CC(Cl)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29ClO/c1-19(2,3)16-9-7-15(8-10-16)18(20)13-14-5-11-17(21-4)12-6-14/h5-6,11-12,15-16,18H,7-10,13H2,1-4H3
InChIKeyFCNYBXIAIZHUGK-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.89
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
2-cyclopropyl-3-(4-methoxyphenyl)propanal
CID 83832511
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-5-methylpyridine
CID 66461420
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
N-(2-chloro-2-cyclopropylethyl)-3-(4-methoxyphenyl)propanamide
CID 114305247
(2R,4R)-4-tert-butyl-2-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 15503449

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene (CID 63520591) is 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene is COc1ccc(CC(Cl)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene?
The InChIKey is FCNYBXIAIZHUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClO/c1-19(2,3)16-9-7-15(8-10-16)18(20)13-14-5-11-17(21-4)12-6-14/h5-6,11-12,15-16,18H,7-10,13H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene?
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene has a molecular weight of 308.89 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene is sourced from PubChem (CID 63520591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).