butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene

C75H96O8 — CID 123962900

IUPACbutoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
SMILESCCCCCCOc1ccccc1OCc1ccccc1.CCCCCOc1ccccc1.CCCCCOc1ccccc1OCc1ccccc1.CCCCOc1ccccc1.CCCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H24O2.C18H22O2.C17H20O2.C11H16O.C10H14O/c1-2-3-4-10-15-20-18-13-8-9-14-19(18)21-16-17-11-6-5-7-12-17;1-2-3-9-14-19-17-12-7-8-13-18(17)20-15-16-10-5-4-6-11-16;1-2-3-13-18-16-11-7-8-12-17(16)19-14-15-9-5-4-6-10-15;1-2-3-7-10-12-11-8-5-4-6-9-11;1-2-3-9-11-10-7-5-4-6-8-10/h5-9,11-14H,2-4,10,15-16H2,1H3;4-8,10-13H,2-3,9,14-15H2,1H3;4-12H,2-3,13-14H2,1H3;4-6,8-9H,2-3,7,10H2,1H3;4-8H,2-3,9H2,1H3
InChIKeyKXGYVEFRZKBGJX-UHFFFAOYSA-N
MW1125.58 g/mol
LogP20.62
Rot. Bonds33

About butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene

butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene (PubChem CID 123962900) has the molecular formula C75H96O8 and a molecular weight of 1125.58 g/mol. Its IUPAC name is butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene.

Molecular Properties

Compound Namebutoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
PubChem CID123962900
Molecular FormulaC75H96O8
Molecular Weight1125.58 g/mol
Exact Mass1124.71
IUPAC Namebutoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
SMILESCCCCCCOc1ccccc1OCc1ccccc1.CCCCCOc1ccccc1.CCCCCOc1ccccc1OCc1ccccc1.CCCCOc1ccccc1.CCCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H24O2.C18H22O2.C17H20O2.C11H16O.C10H14O/c1-2-3-4-10-15-20-18-13-8-9-14-19(18)21-16-17-11-6-5-7-12-17;1-2-3-9-14-19-17-12-7-8-13-18(17)20-15-16-10-5-4-6-11-16;1-2-3-13-18-16-11-7-8-12-17(16)19-14-15-9-5-4-6-10-15;1-2-3-7-10-12-11-8-5-4-6-9-11;1-2-3-9-11-10-7-5-4-6-8-10/h5-9,11-14H,2-4,10,15-16H2,1H3;4-8,10-13H,2-3,9,14-15H2,1H3;4-12H,2-3,13-14H2,1H3;4-6,8-9H,2-3,7,10H2,1H3;4-8H,2-3,9H2,1H3
InChIKeyKXGYVEFRZKBGJX-UHFFFAOYSA-N
XLogP20.62
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.58
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
phenoxymethylbenzene;tetradecane
CID 175006528
pentoxybenzene;undecane
CID 174778179
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-[2-[(4-octoxyphenyl)methoxy]phenyl]ethanol
CID 139712721
4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
CID 139095510
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
1-phenylmethoxy-4-propoxybenzene
CID 10728874
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099

Frequently Asked Questions

What is the IUPAC name of butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene?
The IUPAC name of butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene (CID 123962900) is butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene.
What is the SMILES notation for butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene?
The canonical SMILES for butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene is CCCCCCOc1ccccc1OCc1ccccc1.CCCCCOc1ccccc1.CCCCCOc1ccccc1OCc1ccccc1.CCCCOc1ccccc1.CCCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene?
The InChIKey is KXGYVEFRZKBGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2.C18H22O2.C17H20O2.C11H16O.C10H14O/c1-2-3-4-10-15-20-18-13-8-9-14-19(18)21-16-17-11-6-5-7-12-17;1-2-3-9-14-19-17-12-7-8-13-18(17)20-15-16-10-5-4-6-11-16;1-2-3-13-18-16-11-7-8-12-17(16)19-14-15-9-5-4-6-10-15;1-2-3-7-10-12-11-8-5-4-6-9-11;1-2-3-9-11-10-7-5-4-6-8-10/h5-9,11-14H,2-4,10,15-16H2,1H3;4-8,10-13H,2-3,9,14-15H2,1H3;4-12H,2-3,13-14H2,1H3;4-6,8-9H,2-3,7,10H2,1H3;4-8H,2-3,9H2,1H3.
What are the key properties of butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene?
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene has a molecular weight of 1125.58 g/mol, XLogP of 20.62, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene is sourced from PubChem (CID 123962900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).