(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene

C19H24O2 — CID 90923147

IUPAC(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
SMILESCC(COCc1ccccc1)C(C)OCc1ccccc1
InChIInChI=1S/C19H24O2/c1-16(13-20-14-18-9-5-3-6-10-18)17(2)21-15-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3
InChIKeyIRFPILVJIXABTE-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.44
Rot. Bonds8

About (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene

(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene (PubChem CID 90923147) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene.

Molecular Properties

Compound Name(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
PubChem CID90923147
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
SMILESCC(COCc1ccccc1)C(C)OCc1ccccc1
InChIInChI=1S/C19H24O2/c1-16(13-20-14-18-9-5-3-6-10-18)17(2)21-15-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3
InChIKeyIRFPILVJIXABTE-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethyl-4-phenylmethoxybutyl)-3-(3-methylbutan-2-yloxymethyl)benzene
CID 155451219
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(3S,4S)-3,4-dimethyl-5-phenylmethoxypentanal
CID 25098803
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S,4S,5S,6S)-2,4,6-trimethyl-3,5,7-tris(phenylmethoxy)heptanal
CID 54752965
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene?
The IUPAC name of (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene (CID 90923147) is (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene.
What is the SMILES notation for (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene?
The canonical SMILES for (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene is CC(COCc1ccccc1)C(C)OCc1ccccc1.
What is the InChIKey of (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene?
The InChIKey is IRFPILVJIXABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-16(13-20-14-18-9-5-3-6-10-18)17(2)21-15-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3.
What are the key properties of (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene?
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene has a molecular weight of 284.40 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene is sourced from PubChem (CID 90923147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).