1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene

C19H24O3 — CID 10804189

IUPAC1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
SMILESCCC(C)c1cc(OC)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C19H24O3/c1-5-14(2)16-11-18(20-3)19(21-4)12-17(16)22-13-15-9-7-6-8-10-15/h6-12,14H,5,13H2,1-4H3
InChIKeyHZSVRAKFMVITFT-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.80
Rot. Bonds7

About 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene

1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene (PubChem CID 10804189) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
PubChem CID10804189
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
SMILESCCC(C)c1cc(OC)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C19H24O3/c1-5-14(2)16-11-18(20-3)19(21-4)12-17(16)22-13-15-9-7-6-8-10-15/h6-12,14H,5,13H2,1-4H3
InChIKeyHZSVRAKFMVITFT-UHFFFAOYSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
1-ethoxy-4,5-dimethoxy-2-(1-phenylmethoxypropan-2-yl)benzene
CID 130368760
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
ethyl 5-(4,5-dimethoxy-2-phenylmethoxyphenyl)hexanoate
CID 10667877
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171305634
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene?
The IUPAC name of 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene (CID 10804189) is 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene.
What is the SMILES notation for 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene?
The canonical SMILES for 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene is CCC(C)c1cc(OC)c(OC)cc1OCc1ccccc1.
What is the InChIKey of 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene?
The InChIKey is HZSVRAKFMVITFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-5-14(2)16-11-18(20-3)19(21-4)12-17(16)22-13-15-9-7-6-8-10-15/h6-12,14H,5,13H2,1-4H3.
What are the key properties of 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene?
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene has a molecular weight of 300.40 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene is sourced from PubChem (CID 10804189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).