1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene

C18H18O — CID 11218918

IUPAC1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCOc1ccc(C(=C2CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O/c1-13-3-5-14(6-4-13)18(15-7-8-15)16-9-11-17(19-2)12-10-16/h3-6,9-12H,7-8H2,1-2H3
InChIKeySXMDFKUUSXRSGI-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.60
Rot. Bonds3

About 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene

1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene (PubChem CID 11218918) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
PubChem CID11218918
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCOc1ccc(C(=C2CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18O/c1-13-3-5-14(6-4-13)18(15-7-8-15)16-9-11-17(19-2)12-10-16/h3-6,9-12H,7-8H2,1-2H3
InChIKeySXMDFKUUSXRSGI-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
1-(113C)methoxy-4-methylbenzene
CID 166176950
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228
1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 162199896
4-methoxyphenol;4-methylphenol
CID 158312507
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene (CID 11218918) is 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene is COc1ccc(C(=C2CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene?
The InChIKey is SXMDFKUUSXRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13-3-5-14(6-4-13)18(15-7-8-15)16-9-11-17(19-2)12-10-16/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene?
1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene has a molecular weight of 250.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 11218918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).