1-butyl-4-phenylmethoxy-2-propoxybenzene

C20H26O2 — CID 139774121

IUPAC1-butyl-4-phenylmethoxy-2-propoxybenzene
SMILESCCCCc1ccc(OCc2ccccc2)cc1OCCC
InChIInChI=1S/C20H26O2/c1-3-5-11-18-12-13-19(15-20(18)21-14-4-2)22-16-17-9-7-6-8-10-17/h6-10,12-13,15H,3-5,11,14,16H2,1-2H3
InChIKeyLPLSXAYEUYTDKG-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.40
Rot. Bonds9

About 1-butyl-4-phenylmethoxy-2-propoxybenzene

1-butyl-4-phenylmethoxy-2-propoxybenzene (PubChem CID 139774121) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-butyl-4-phenylmethoxy-2-propoxybenzene.

Molecular Properties

Compound Name1-butyl-4-phenylmethoxy-2-propoxybenzene
PubChem CID139774121
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-butyl-4-phenylmethoxy-2-propoxybenzene
SMILESCCCCc1ccc(OCc2ccccc2)cc1OCCC
InChIInChI=1S/C20H26O2/c1-3-5-11-18-12-13-19(15-20(18)21-14-4-2)22-16-17-9-7-6-8-10-17/h6-10,12-13,15H,3-5,11,14,16H2,1-2H3
InChIKeyLPLSXAYEUYTDKG-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
1-phenylmethoxy-4-propoxybenzene
CID 10728874
4-(phenoxymethyl)-2-(2-phenylethoxy)-1-propylbenzene
CID 142214031
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-phenylmethoxy-2-propoxybenzene?
The IUPAC name of 1-butyl-4-phenylmethoxy-2-propoxybenzene (CID 139774121) is 1-butyl-4-phenylmethoxy-2-propoxybenzene.
What is the SMILES notation for 1-butyl-4-phenylmethoxy-2-propoxybenzene?
The canonical SMILES for 1-butyl-4-phenylmethoxy-2-propoxybenzene is CCCCc1ccc(OCc2ccccc2)cc1OCCC.
What is the InChIKey of 1-butyl-4-phenylmethoxy-2-propoxybenzene?
The InChIKey is LPLSXAYEUYTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-5-11-18-12-13-19(15-20(18)21-14-4-2)22-16-17-9-7-6-8-10-17/h6-10,12-13,15H,3-5,11,14,16H2,1-2H3.
What are the key properties of 1-butyl-4-phenylmethoxy-2-propoxybenzene?
1-butyl-4-phenylmethoxy-2-propoxybenzene has a molecular weight of 298.43 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-phenylmethoxy-2-propoxybenzene is sourced from PubChem (CID 139774121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).