ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene

C18H24O — CID 143200250

IUPACethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
SMILESCC.COc1ccc(Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C16H18O.C2H6/c1-12-4-7-15(13(2)10-12)11-14-5-8-16(17-3)9-6-14;1-2/h4-10H,11H2,1-3H3;1-2H3
InChIKeyJCHSKDLBDQHLTB-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.93
Rot. Bonds3

About ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene

ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene (PubChem CID 143200250) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Nameethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
PubChem CID143200250
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Nameethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
SMILESCC.COc1ccc(Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C16H18O.C2H6/c1-12-4-7-15(13(2)10-12)11-14-5-8-16(17-3)9-6-14;1-2/h4-10H,11H2,1-3H3;1-2H3
InChIKeyJCHSKDLBDQHLTB-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
CID 163823681
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
4-[(2,4-dimethylphenyl)methyl]benzoic acid
CID 116927178
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene?
The IUPAC name of ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene (CID 143200250) is ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene.
What is the SMILES notation for ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene?
The canonical SMILES for ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene is CC.COc1ccc(Cc2ccc(C)cc2C)cc1.
What is the InChIKey of ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene?
The InChIKey is JCHSKDLBDQHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C2H6/c1-12-4-7-15(13(2)10-12)11-14-5-8-16(17-3)9-6-14;1-2/h4-10H,11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene?
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene has a molecular weight of 256.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene is sourced from PubChem (CID 143200250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).