2-ethoxy-1-ethyl-3-phenylmethoxybenzene

C17H20O2 — CID 173205995

IUPAC2-ethoxy-1-ethyl-3-phenylmethoxybenzene
SMILESCCOc1c(CC)cccc1OCc1ccccc1
InChIInChI=1S/C17H20O2/c1-3-15-11-8-12-16(17(15)18-4-2)19-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyDISHPZRQKMVFPQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.23
Rot. Bonds6

About 2-ethoxy-1-ethyl-3-phenylmethoxybenzene

2-ethoxy-1-ethyl-3-phenylmethoxybenzene (PubChem CID 173205995) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-ethoxy-1-ethyl-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-ethoxy-1-ethyl-3-phenylmethoxybenzene
PubChem CID173205995
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-ethoxy-1-ethyl-3-phenylmethoxybenzene
SMILESCCOc1c(CC)cccc1OCc1ccccc1
InChIInChI=1S/C17H20O2/c1-3-15-11-8-12-16(17(15)18-4-2)19-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyDISHPZRQKMVFPQ-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
1-(methoxymethoxymethyl)-2,3-bis(phenylmethoxy)benzene
CID 86164113
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17332966
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-ethyl-3-phenylmethoxybenzene?
The IUPAC name of 2-ethoxy-1-ethyl-3-phenylmethoxybenzene (CID 173205995) is 2-ethoxy-1-ethyl-3-phenylmethoxybenzene.
What is the SMILES notation for 2-ethoxy-1-ethyl-3-phenylmethoxybenzene?
The canonical SMILES for 2-ethoxy-1-ethyl-3-phenylmethoxybenzene is CCOc1c(CC)cccc1OCc1ccccc1.
What is the InChIKey of 2-ethoxy-1-ethyl-3-phenylmethoxybenzene?
The InChIKey is DISHPZRQKMVFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-15-11-8-12-16(17(15)18-4-2)19-13-14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 2-ethoxy-1-ethyl-3-phenylmethoxybenzene?
2-ethoxy-1-ethyl-3-phenylmethoxybenzene has a molecular weight of 256.34 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-ethyl-3-phenylmethoxybenzene is sourced from PubChem (CID 173205995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).