1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene

C21H28O2 — CID 58499092

IUPAC1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene
SMILESCC(C)OCC(c1ccc(OCc2ccccc2)cc1)C(C)C
InChIInChI=1S/C21H28O2/c1-16(2)21(15-22-17(3)4)19-10-12-20(13-11-19)23-14-18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3
InChIKeyMMGGSAIZRWAIHM-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.43
Rot. Bonds8

About 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene

1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene (PubChem CID 58499092) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene
PubChem CID58499092
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene
SMILESCC(C)OCC(c1ccc(OCc2ccccc2)cc1)C(C)C
InChIInChI=1S/C21H28O2/c1-16(2)21(15-22-17(3)4)19-10-12-20(13-11-19)23-14-18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3
InChIKeyMMGGSAIZRWAIHM-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1-(3-bromopentan-2-yl)-4-phenylmethoxybenzene
CID 79308109
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene (CID 58499092) is 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene is CC(C)OCC(c1ccc(OCc2ccccc2)cc1)C(C)C.
What is the InChIKey of 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene?
The InChIKey is MMGGSAIZRWAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-16(2)21(15-22-17(3)4)19-10-12-20(13-11-19)23-14-18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3.
What are the key properties of 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene?
1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene has a molecular weight of 312.45 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene is sourced from PubChem (CID 58499092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).