2-[(4-phenylmethoxyphenyl)methyl]azulene

C24H20O — CID 141130846

IUPAC2-[(4-phenylmethoxyphenyl)methyl]azulene
SMILESc1ccc(COc2ccc(Cc3cc4cccccc-4c3)cc2)cc1
InChIInChI=1S/C24H20O/c1-3-7-20(8-4-1)18-25-24-13-11-19(12-14-24)15-21-16-22-9-5-2-6-10-23(22)17-21/h1-14,16-17H,15,18H2
InChIKeyUFSPVYPKYDXFQE-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.96
Rot. Bonds5

About 2-[(4-phenylmethoxyphenyl)methyl]azulene

2-[(4-phenylmethoxyphenyl)methyl]azulene (PubChem CID 141130846) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)methyl]azulene.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)methyl]azulene
PubChem CID141130846
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name2-[(4-phenylmethoxyphenyl)methyl]azulene
SMILESc1ccc(COc2ccc(Cc3cc4cccccc-4c3)cc2)cc1
InChIInChI=1S/C24H20O/c1-3-7-20(8-4-1)18-25-24-13-11-19(12-14-24)15-21-16-22-9-5-2-6-10-23(22)17-21/h1-14,16-17H,15,18H2
InChIKeyUFSPVYPKYDXFQE-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
CID 54243876
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
CID 143625778
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)methyl]azulene?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)methyl]azulene (CID 141130846) is 2-[(4-phenylmethoxyphenyl)methyl]azulene.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)methyl]azulene?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)methyl]azulene is c1ccc(COc2ccc(Cc3cc4cccccc-4c3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)methyl]azulene?
The InChIKey is UFSPVYPKYDXFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-3-7-20(8-4-1)18-25-24-13-11-19(12-14-24)15-21-16-22-9-5-2-6-10-23(22)17-21/h1-14,16-17H,15,18H2.
What are the key properties of 2-[(4-phenylmethoxyphenyl)methyl]azulene?
2-[(4-phenylmethoxyphenyl)methyl]azulene has a molecular weight of 324.42 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)methyl]azulene is sourced from PubChem (CID 141130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).