1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene

C37H46O — CID 143952428

IUPAC1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene
SMILESCCC(c1ccc(CC(C)C)cc1)C(C)C.CCCOc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C21H20O.C16H26/c1-2-16-22-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18;1-6-16(13(4)5)15-9-7-14(8-10-15)11-12(2)3/h3-15H,2,16H2,1H3;7-10,12-13,16H,6,11H2,1-5H3
InChIKeyIERIMBMUSXSBLH-UHFFFAOYSA-N
MW506.77 g/mol
LogP10.84
Rot. Bonds10

About 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene

1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene (PubChem CID 143952428) has the molecular formula C37H46O and a molecular weight of 506.77 g/mol. Its IUPAC name is 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene
PubChem CID143952428
Molecular FormulaC37H46O
Molecular Weight506.77 g/mol
Exact Mass506.35
IUPAC Name1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene
SMILESCCC(c1ccc(CC(C)C)cc1)C(C)C.CCCOc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C21H20O.C16H26/c1-2-16-22-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18;1-6-16(13(4)5)15-9-7-14(8-10-15)11-12(2)3/h3-15H,2,16H2,1H3;7-10,12-13,16H,6,11H2,1-5H3
InChIKeyIERIMBMUSXSBLH-UHFFFAOYSA-N
XLogP10.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.77
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-butan-2-ylphenoxy)methoxy]-1,3-diphenylbenzene
CID 89251443
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
1-[[4-(2,5-dimethylhexan-3-yl)phenoxy]-[2-(2,6-diphenylphenoxy)ethoxy]methyl]-1H-indene
CID 89181440
1-(3-phenyl-4-propoxyphenyl)butan-2-amine
CID 170890577
2-[1-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethylperoxy]-1,3-diphenylbenzene
CID 123664949
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-phenylphenoxy)acetamide
CID 7936643
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline
CID 139610213

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene (CID 143952428) is 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene is CCC(c1ccc(CC(C)C)cc1)C(C)C.CCCOc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene?
The InChIKey is IERIMBMUSXSBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O.C16H26/c1-2-16-22-21-19(17-10-5-3-6-11-17)14-9-15-20(21)18-12-7-4-8-13-18;1-6-16(13(4)5)15-9-7-14(8-10-15)11-12(2)3/h3-15H,2,16H2,1H3;7-10,12-13,16H,6,11H2,1-5H3.
What are the key properties of 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene?
1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene has a molecular weight of 506.77 g/mol, XLogP of 10.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-propoxybenzene;1-(2-methylpentan-3-yl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 143952428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).