butane;phenol;phenylmethoxymethylbenzene

C24H30O2 — CID 174556357

IUPACbutane;phenol;phenylmethoxymethylbenzene
SMILESCCCC.Oc1ccccc1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C6H6O.C4H10/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;7-6-4-2-1-3-5-6;1-3-4-2/h1-10H,11-12H2;1-5,7H;3-4H2,1-2H3
InChIKeyZIXQXWVGSOMMRP-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.60
Rot. Bonds5

About butane;phenol;phenylmethoxymethylbenzene

butane;phenol;phenylmethoxymethylbenzene (PubChem CID 174556357) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is butane;phenol;phenylmethoxymethylbenzene.

Molecular Properties

Compound Namebutane;phenol;phenylmethoxymethylbenzene
PubChem CID174556357
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Namebutane;phenol;phenylmethoxymethylbenzene
SMILESCCCC.Oc1ccccc1.c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H14O.C6H6O.C4H10/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;7-6-4-2-1-3-5-6;1-3-4-2/h1-10H,11-12H2;1-5,7H;3-4H2,1-2H3
InChIKeyZIXQXWVGSOMMRP-UHFFFAOYSA-N
XLogP6.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90943549
CID 66734377
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CID 175214238
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
(213C)ethoxymethylbenzene
CID 87947851
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CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
phenol;propane;1-propoxypropane
CID 162084226
benzene;phenol;propane
CID 157176896
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
dichloromethane;phenylmethoxymethylbenzene
CID 174530379

Frequently Asked Questions

What is the IUPAC name of butane;phenol;phenylmethoxymethylbenzene?
The IUPAC name of butane;phenol;phenylmethoxymethylbenzene (CID 174556357) is butane;phenol;phenylmethoxymethylbenzene.
What is the SMILES notation for butane;phenol;phenylmethoxymethylbenzene?
The canonical SMILES for butane;phenol;phenylmethoxymethylbenzene is CCCC.Oc1ccccc1.c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of butane;phenol;phenylmethoxymethylbenzene?
The InChIKey is ZIXQXWVGSOMMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C6H6O.C4H10/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;7-6-4-2-1-3-5-6;1-3-4-2/h1-10H,11-12H2;1-5,7H;3-4H2,1-2H3.
What are the key properties of butane;phenol;phenylmethoxymethylbenzene?
butane;phenol;phenylmethoxymethylbenzene has a molecular weight of 350.50 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phenol;phenylmethoxymethylbenzene is sourced from PubChem (CID 174556357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).