1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene

C19H28O — CID 132606019

IUPAC1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene
SMILESCOc1ccc(CCC2(C)CC(C)=CCC2(C)C)cc1
InChIInChI=1S/C19H28O/c1-15-10-12-18(2,3)19(4,14-15)13-11-16-6-8-17(20-5)9-7-16/h6-10H,11-14H2,1-5H3
InChIKeyVRJBDWWOJJMIDF-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.40
Rot. Bonds4

About 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene

1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene (PubChem CID 132606019) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene
PubChem CID132606019
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene
SMILESCOc1ccc(CCC2(C)CC(C)=CCC2(C)C)cc1
InChIInChI=1S/C19H28O/c1-15-10-12-18(2,3)19(4,14-15)13-11-16-6-8-17(20-5)9-7-16/h6-10H,11-14H2,1-5H3
InChIKeyVRJBDWWOJJMIDF-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698548
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
1-[2-[2-(benzenesulfinyl)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110343
ethane;1-methoxy-4-propylbenzene
CID 142085762
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one
CID 79961440
2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 65443657
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene?
The IUPAC name of 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene (CID 132606019) is 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene is COc1ccc(CCC2(C)CC(C)=CCC2(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene?
The InChIKey is VRJBDWWOJJMIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-15-10-12-18(2,3)19(4,14-15)13-11-16-6-8-17(20-5)9-7-16/h6-10H,11-14H2,1-5H3.
What are the key properties of 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene?
1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene has a molecular weight of 272.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(1,3,6,6-tetramethylcyclohex-3-en-1-yl)ethyl]benzene is sourced from PubChem (CID 132606019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).