1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene

C22H22O2 — CID 175430407

IUPAC1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
SMILESCOc1ccc(Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-22(2,17-7-5-4-6-8-17)18-9-11-20(12-10-18)24-21-15-13-19(23-3)14-16-21/h4-16H,1-3H3
InChIKeyHOZZSCOJLSYUBW-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.81
Rot. Bonds5

About 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene

1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene (PubChem CID 175430407) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
PubChem CID175430407
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
SMILESCOc1ccc(Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22O2/c1-22(2,17-7-5-4-6-8-17)18-9-11-20(12-10-18)24-21-15-13-19(23-3)14-16-21/h4-16H,1-3H3
InChIKeyHOZZSCOJLSYUBW-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375
4-[4-(2-phenylpropan-2-yl)phenoxy]benzenecarbothioamide
CID 20986191
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
2-phenylpropan-2-ylbenzene
CID 13065
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
1,3-bis(methylsulfanyl)benzene;1,4-bis(methylsulfanyl)benzene;methane;1-methoxy-4-(4-methoxyphenoxy)benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 157447710
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
1-methanidyloxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;yttrium
CID 59043103
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene?
The IUPAC name of 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene (CID 175430407) is 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene?
The canonical SMILES for 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene is COc1ccc(Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene?
The InChIKey is HOZZSCOJLSYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-22(2,17-7-5-4-6-8-17)18-9-11-20(12-10-18)24-21-15-13-19(23-3)14-16-21/h4-16H,1-3H3.
What are the key properties of 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene?
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene has a molecular weight of 318.42 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene is sourced from PubChem (CID 175430407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).