1,3-diphenylbenzene;4-phenylmethoxyphenol

C31H26O2 — CID 70041760

IUPAC1,3-diphenylbenzene;4-phenylmethoxyphenol
SMILESOc1ccc(OCc2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H14.C13H12O2/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-14H;1-9,14H,10H2
InChIKeyYUAGKIKCWFFAIP-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.99
Rot. Bonds5

About 1,3-diphenylbenzene;4-phenylmethoxyphenol

1,3-diphenylbenzene;4-phenylmethoxyphenol (PubChem CID 70041760) has the molecular formula C31H26O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1,3-diphenylbenzene;4-phenylmethoxyphenol.

Molecular Properties

Compound Name1,3-diphenylbenzene;4-phenylmethoxyphenol
PubChem CID70041760
Molecular FormulaC31H26O2
Molecular Weight430.55 g/mol
Exact Mass430.19
IUPAC Name1,3-diphenylbenzene;4-phenylmethoxyphenol
SMILESOc1ccc(OCc2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H14.C13H12O2/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-14H;1-9,14H,10H2
InChIKeyYUAGKIKCWFFAIP-UHFFFAOYSA-N
XLogP7.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
2-fluoro-4-(4-hydroxyphenyl)benzonitrile;2-fluoro-4-(4-phenylmethoxyphenyl)benzonitrile
CID 23173787
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
phenoxymethylbenzene;2-phenylphenol
CID 159234068
(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylbenzene;4-phenylmethoxyphenol?
The IUPAC name of 1,3-diphenylbenzene;4-phenylmethoxyphenol (CID 70041760) is 1,3-diphenylbenzene;4-phenylmethoxyphenol.
What is the SMILES notation for 1,3-diphenylbenzene;4-phenylmethoxyphenol?
The canonical SMILES for 1,3-diphenylbenzene;4-phenylmethoxyphenol is Oc1ccc(OCc2ccccc2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-diphenylbenzene;4-phenylmethoxyphenol?
The InChIKey is YUAGKIKCWFFAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C13H12O2/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-14H;1-9,14H,10H2.
What are the key properties of 1,3-diphenylbenzene;4-phenylmethoxyphenol?
1,3-diphenylbenzene;4-phenylmethoxyphenol has a molecular weight of 430.55 g/mol, XLogP of 7.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylbenzene;4-phenylmethoxyphenol is sourced from PubChem (CID 70041760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).