1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene

C15H20O — CID 10965945

IUPAC1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
SMILESCOc1ccc(C2(C)CC(C)=C(C)C2)cc1
InChIInChI=1S/C15H20O/c1-11-9-15(3,10-12(11)2)13-5-7-14(16-4)8-6-13/h5-8H,9-10H2,1-4H3
InChIKeyGOBXIDSQOGKDPN-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.08
Rot. Bonds2

About 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene

1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene (PubChem CID 10965945) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
PubChem CID10965945
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
SMILESCOc1ccc(C2(C)CC(C)=C(C)C2)cc1
InChIInChI=1S/C15H20O/c1-11-9-15(3,10-12(11)2)13-5-7-14(16-4)8-6-13/h5-8H,9-10H2,1-4H3
InChIKeyGOBXIDSQOGKDPN-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.08
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-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
3-(4-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538662
1-methoxy-4-(1,3,3,5-tetramethylcyclohexyl)benzene
CID 20692114
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
3-(4-methoxyphenyl)-3,4-dimethyl-2H-furan
CID 152736283
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
CID 11252954
(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one
CID 132839320
1-(113C)methoxy-4-methylbenzene
CID 166176950
5-chloro-7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1H-quinoline
CID 154269284
3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol
CID 86103756

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene?
The IUPAC name of 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene (CID 10965945) is 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene?
The canonical SMILES for 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene is COc1ccc(C2(C)CC(C)=C(C)C2)cc1.
What is the InChIKey of 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene?
The InChIKey is GOBXIDSQOGKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-9-15(3,10-12(11)2)13-5-7-14(16-4)8-6-13/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene?
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene has a molecular weight of 216.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene is sourced from PubChem (CID 10965945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).