1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene

C17H18O — CID 141433382

IUPAC1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene
SMILESCOc1ccc(-c2cc(C)ccc2C2CC2)cc1
InChIInChI=1S/C17H18O/c1-12-3-10-16(13-4-5-13)17(11-12)14-6-8-15(18-2)9-7-14/h3,6-11,13H,4-5H2,1-2H3
InChIKeyROCNRTWOGDWEJT-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.55
Rot. Bonds3

About 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene

1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene (PubChem CID 141433382) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene
PubChem CID141433382
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene
SMILESCOc1ccc(-c2cc(C)ccc2C2CC2)cc1
InChIInChI=1S/C17H18O/c1-12-3-10-16(13-4-5-13)17(11-12)14-6-8-15(18-2)9-7-14/h3,6-11,13H,4-5H2,1-2H3
InChIKeyROCNRTWOGDWEJT-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1-(113C)methoxy-4-methylbenzene
CID 166176950
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
2-(4-methoxyphenyl)-6-methylnaphthalene
CID 15099897
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline
CID 126536454
2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
CID 91376879
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
CID 132819280
6-methoxy-10-(4-methoxyphenyl)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene
CID 66652038
4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 70037330

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene?
The IUPAC name of 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene (CID 141433382) is 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene.
What is the SMILES notation for 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene?
The canonical SMILES for 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene is COc1ccc(-c2cc(C)ccc2C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene?
The InChIKey is ROCNRTWOGDWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12-3-10-16(13-4-5-13)17(11-12)14-6-8-15(18-2)9-7-14/h3,6-11,13H,4-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene?
1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methoxyphenyl)-4-methylbenzene is sourced from PubChem (CID 141433382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).