[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone

C34H34O4 — CID 134886756

IUPAC[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCCCCCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H34O4/c35-33(27-13-7-5-8-14-27)29-17-21-31(22-18-29)37-25-11-3-1-2-4-12-26-38-32-23-19-30(20-24-32)34(36)28-15-9-6-10-16-28/h5-10,13-24H,1-4,11-12,25-26H2
InChIKeyBBFLWBYUKVIURE-UHFFFAOYSA-N
MW506.64 g/mol
LogP7.95
Rot. Bonds15

About [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone

[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone (PubChem CID 134886756) has the molecular formula C34H34O4 and a molecular weight of 506.64 g/mol. Its IUPAC name is [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
PubChem CID134886756
Molecular FormulaC34H34O4
Molecular Weight506.64 g/mol
Exact Mass506.25
IUPAC Name[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCCCCCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H34O4/c35-33(27-13-7-5-8-14-27)29-17-21-31(22-18-29)37-25-11-3-1-2-4-12-26-38-32-23-19-30(20-24-32)34(36)28-15-9-6-10-16-28/h5-10,13-24H,1-4,11-12,25-26H2
InChIKeyBBFLWBYUKVIURE-UHFFFAOYSA-N
XLogP7.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
12-(4-benzoylphenoxy)dodecylphosphonic acid
CID 86002204
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
11-(4-benzoylphenoxy)undecyl 2-bromo-2-methylpropanoate
CID 153483732
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379
3-(4-benzoylphenoxy)propane-1-sulfonate
CID 22616688
[4-[3-[3-[3-(4-benzoylphenoxy)propyl]-1-bicyclo[1.1.1]pentanyl]propoxy]phenyl]-phenylmethanone
CID 5250881
[4-[(4S)-4-amino-5-sulfanylpentoxy]phenyl]-phenylmethanone
CID 87877068
5-[4-(5-benzoyloxypentoxy)phenoxy]pentyl benzoate
CID 139725792
[4-[3-(2-chlorophenoxy)propoxy]phenyl]-phenylmethanone
CID 141062462
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825

Frequently Asked Questions

What is the IUPAC name of [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone (CID 134886756) is [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCCCCCCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone?
The InChIKey is BBFLWBYUKVIURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O4/c35-33(27-13-7-5-8-14-27)29-17-21-31(22-18-29)37-25-11-3-1-2-4-12-26-38-32-23-19-30(20-24-32)34(36)28-15-9-6-10-16-28/h5-10,13-24H,1-4,11-12,25-26H2.
What are the key properties of [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone?
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone has a molecular weight of 506.64 g/mol, XLogP of 7.95, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 134886756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).