1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene

C18H24O — CID 71380168

IUPAC1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene
SMILESC=CC1(C)CCCC1=CCCc1cccc(OC)c1
InChIInChI=1S/C18H24O/c1-4-18(2)13-7-11-16(18)10-5-8-15-9-6-12-17(14-15)19-3/h4,6,9-10,12,14H,1,5,7-8,11,13H2,2-3H3
InChIKeyHIOSFRKGRBQXPA-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.93
Rot. Bonds5

About 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene

1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene (PubChem CID 71380168) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene
PubChem CID71380168
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene
SMILESC=CC1(C)CCCC1=CCCc1cccc(OC)c1
InChIInChI=1S/C18H24O/c1-4-18(2)13-7-11-16(18)10-5-8-15-9-6-12-17(14-15)19-3/h4,6,9-10,12,14H,1,5,7-8,11,13H2,2-3H3
InChIKeyHIOSFRKGRBQXPA-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.93
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-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
CID 10586534
1-methoxy-3-propylbenzene
CID 14270128
[(3R)-3-[2-(3-methoxyphenyl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 101207669
2-[2-(3-methoxyphenyl)ethyl]-2-methyloxirane
CID 58065884
4-(3-methoxyphenyl)butanal
CID 10821200
4-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1-methylbenzene
CID 13300063
6-[2-(3-methoxyphenyl)ethyl]-7-methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 53254724
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
1-methoxy-3-[2-[(1S,6S)-2,2,6-trimethylcyclohexyl]ethyl]benzene
CID 135276645

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene?
The IUPAC name of 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene (CID 71380168) is 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene.
What is the SMILES notation for 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene?
The canonical SMILES for 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene is C=CC1(C)CCCC1=CCCc1cccc(OC)c1.
What is the InChIKey of 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene?
The InChIKey is HIOSFRKGRBQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-4-18(2)13-7-11-16(18)10-5-8-15-9-6-12-17(14-15)19-3/h4,6,9-10,12,14H,1,5,7-8,11,13H2,2-3H3.
What are the key properties of 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene?
1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene has a molecular weight of 256.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethenyl-2-methylcyclopentylidene)propyl]-3-methoxybenzene is sourced from PubChem (CID 71380168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).