1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene

C36H46O — CID 91287648

IUPAC1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene
SMILESCC/C=C(\CCC)c1ccccc1.CCCc1ccccc1CC.COc1ccc(C)c2ccccc12
InChIInChI=1S/C13H18.C12H12O.C11H16/c1-3-8-12(9-4-2)13-10-6-5-7-11-13;1-9-7-8-12(13-2)11-6-4-3-5-10(9)11;1-3-7-11-9-6-5-8-10(11)4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-8H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3/b12-8+;;
InChIKeyFDIDODCLQJVMGW-BPWZRWDXSA-N
MW494.76 g/mol
LogP10.64
Rot. Bonds8

About 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene

1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene (PubChem CID 91287648) has the molecular formula C36H46O and a molecular weight of 494.76 g/mol. Its IUPAC name is 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene.

Molecular Properties

Compound Name1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene
PubChem CID91287648
Molecular FormulaC36H46O
Molecular Weight494.76 g/mol
Exact Mass494.35
IUPAC Name1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene
SMILESCC/C=C(\CCC)c1ccccc1.CCCc1ccccc1CC.COc1ccc(C)c2ccccc12
InChIInChI=1S/C13H18.C12H12O.C11H16/c1-3-8-12(9-4-2)13-10-6-5-7-11-13;1-9-7-8-12(13-2)11-6-4-3-5-10(9)11;1-3-7-11-9-6-5-8-10(11)4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-8H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3/b12-8+;;
InChIKeyFDIDODCLQJVMGW-BPWZRWDXSA-N
XLogP10.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-non-3-en-4-yl]benzene
CID 101008148
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
CID 143116138
butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one
CID 143890723
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene
CID 70323367
(2-methoxy-6-propylphenyl) acetate
CID 170893292
1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
CID 154120780
1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
CID 70001014
4-hept-3-en-4-ylphenol
CID 154096280
1-methyl-4-(trideuteriomethoxy)naphthalene
CID 101106578
(E)-3-(4-hydroxy-3-methoxy-5-propylnaphthalen-1-yl)-2-methylprop-2-enoic acid
CID 10086171

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene?
The IUPAC name of 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene (CID 91287648) is 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene.
What is the SMILES notation for 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene?
The canonical SMILES for 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene is CC/C=C(\CCC)c1ccccc1.CCCc1ccccc1CC.COc1ccc(C)c2ccccc12.
What is the InChIKey of 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene?
The InChIKey is FDIDODCLQJVMGW-BPWZRWDXSA-N. The full InChI is InChI=1S/C13H18.C12H12O.C11H16/c1-3-8-12(9-4-2)13-10-6-5-7-11-13;1-9-7-8-12(13-2)11-6-4-3-5-10(9)11;1-3-7-11-9-6-5-8-10(11)4-2/h5-8,10-11H,3-4,9H2,1-2H3;3-8H,1-2H3;5-6,8-9H,3-4,7H2,1-2H3/b12-8+;;.
What are the key properties of 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene?
1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene has a molecular weight of 494.76 g/mol, XLogP of 10.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propylbenzene;[(E)-hept-3-en-4-yl]benzene;1-methoxy-4-methylnaphthalene is sourced from PubChem (CID 91287648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).