(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone

C27H22O3 — CID 58133171

IUPAC(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H22O3/c1-20-7-9-22(10-8-20)27(28)23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-19-21-5-3-2-4-6-21/h2-18H,19H2,1H3
InChIKeyJHTGNDHLHRRVAW-UHFFFAOYSA-N
MW394.47 g/mol
LogP6.60
Rot. Bonds7

About (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone

(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone (PubChem CID 58133171) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
PubChem CID58133171
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H22O3/c1-20-7-9-22(10-8-20)27(28)23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-19-21-5-3-2-4-6-21/h2-18H,19H2,1H3
InChIKeyJHTGNDHLHRRVAW-UHFFFAOYSA-N
XLogP6.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone (CID 58133171) is (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone is Cc1ccc(C(=O)c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone?
The InChIKey is JHTGNDHLHRRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c1-20-7-9-22(10-8-20)27(28)23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-19-21-5-3-2-4-6-21/h2-18H,19H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone?
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone has a molecular weight of 394.47 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 58133171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).