1,2-dimethyl-3-(2-propylphenoxy)benzene

C17H20O — CID 173291845

IUPAC1,2-dimethyl-3-(2-propylphenoxy)benzene
SMILESCCCc1ccccc1Oc1cccc(C)c1C
InChIInChI=1S/C17H20O/c1-4-8-15-10-5-6-11-17(15)18-16-12-7-9-13(2)14(16)3/h5-7,9-12H,4,8H2,1-3H3
InChIKeyGELBOOYJOALHER-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.05
Rot. Bonds4

About 1,2-dimethyl-3-(2-propylphenoxy)benzene

1,2-dimethyl-3-(2-propylphenoxy)benzene (PubChem CID 173291845) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-propylphenoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-propylphenoxy)benzene
PubChem CID173291845
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1,2-dimethyl-3-(2-propylphenoxy)benzene
SMILESCCCc1ccccc1Oc1cccc(C)c1C
InChIInChI=1S/C17H20O/c1-4-8-15-10-5-6-11-17(15)18-16-12-7-9-13(2)14(16)3/h5-7,9-12H,4,8H2,1-3H3
InChIKeyGELBOOYJOALHER-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
(2-propylphenyl) formate
CID 54498769
1-(2-nitrophenoxy)-2-propylbenzene
CID 38113680
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
N-[[5-chloro-2-(2,3-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855397
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-propylphenoxy)benzene?
The IUPAC name of 1,2-dimethyl-3-(2-propylphenoxy)benzene (CID 173291845) is 1,2-dimethyl-3-(2-propylphenoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-3-(2-propylphenoxy)benzene?
The canonical SMILES for 1,2-dimethyl-3-(2-propylphenoxy)benzene is CCCc1ccccc1Oc1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-(2-propylphenoxy)benzene?
The InChIKey is GELBOOYJOALHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-4-8-15-10-5-6-11-17(15)18-16-12-7-9-13(2)14(16)3/h5-7,9-12H,4,8H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-(2-propylphenoxy)benzene?
1,2-dimethyl-3-(2-propylphenoxy)benzene has a molecular weight of 240.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-propylphenoxy)benzene is sourced from PubChem (CID 173291845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).