1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene

C18H18O — CID 13444266

IUPAC1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
SMILESCOc1ccc(C2=C(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H18O/c1-19-16-12-10-15(11-13-16)18-9-5-8-17(18)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyYDYGWWCVBYDFGE-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.79
Rot. Bonds3

About 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene

1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene (PubChem CID 13444266) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
PubChem CID13444266
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
SMILESCOc1ccc(C2=C(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H18O/c1-19-16-12-10-15(11-13-16)18-9-5-8-17(18)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyYDYGWWCVBYDFGE-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)cyclohexen-1-yl]pyridine
CID 102382394
N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
CID 11440319
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-[2-(4-methoxyphenyl)-4-phenylcyclopenta-1,3-dien-1-yl]benzene
CID 102201867
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
(1Z)-1,2-diphenylcyclododecene
CID 5378897
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654
5-(4-methoxyphenyl)-4,7-diphenyl-2,3-dihydro-1H-indene
CID 53473730

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene?
The IUPAC name of 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene (CID 13444266) is 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene?
The canonical SMILES for 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene is COc1ccc(C2=C(c3ccccc3)CCC2)cc1.
What is the InChIKey of 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene?
The InChIKey is YDYGWWCVBYDFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-19-16-12-10-15(11-13-16)18-9-5-8-17(18)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene?
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene has a molecular weight of 250.34 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene is sourced from PubChem (CID 13444266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).