1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene

C35H40O4 — CID 43835980

IUPAC1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
SMILESc1ccc(COc2ccc(OCCCCCCCCCOc3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C35H40O4/c1(2-4-12-26-36-32-18-22-34(23-19-32)38-28-30-14-8-6-9-15-30)3-5-13-27-37-33-20-24-35(25-21-33)39-29-31-16-10-7-11-17-31/h6-11,14-25H,1-5,12-13,26-29H2
InChIKeyNHBNDMDYZWMKBN-UHFFFAOYSA-N
MW524.70 g/mol
LogP9.03
Rot. Bonds18

About 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene

1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene (PubChem CID 43835980) has the molecular formula C35H40O4 and a molecular weight of 524.70 g/mol. Its IUPAC name is 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene.

Molecular Properties

Compound Name1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
PubChem CID43835980
Molecular FormulaC35H40O4
Molecular Weight524.70 g/mol
Exact Mass524.29
IUPAC Name1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
SMILESc1ccc(COc2ccc(OCCCCCCCCCOc3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C35H40O4/c1(2-4-12-26-36-32-18-22-34(23-19-32)38-28-30-14-8-6-9-15-30)3-5-13-27-37-33-20-24-35(25-21-33)39-29-31-16-10-7-11-17-31/h6-11,14-25H,1-5,12-13,26-29H2
InChIKeyNHBNDMDYZWMKBN-UHFFFAOYSA-N
XLogP9.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 59.03
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

8-(4-phenylmethoxyphenoxy)octylazanium
CID 142204754
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
1-(5-bromopentoxy)-4-phenylmethoxybenzene;1-(3-bromopropoxy)-4-phenylmethoxybenzene
CID 158329234
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
1-phenylmethoxy-4-propoxybenzene
CID 10728874
2-[9-(4-phenylmethoxyphenoxy)nonyl]oxirane
CID 54047202
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene?
The IUPAC name of 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene (CID 43835980) is 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene.
What is the SMILES notation for 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene?
The canonical SMILES for 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene is c1ccc(COc2ccc(OCCCCCCCCCOc3ccc(OCc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene?
The InChIKey is NHBNDMDYZWMKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O4/c1(2-4-12-26-36-32-18-22-34(23-19-32)38-28-30-14-8-6-9-15-30)3-5-13-27-37-33-20-24-35(25-21-33)39-29-31-16-10-7-11-17-31/h6-11,14-25H,1-5,12-13,26-29H2.
What are the key properties of 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene?
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene has a molecular weight of 524.70 g/mol, XLogP of 9.03, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene is sourced from PubChem (CID 43835980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).