bis(3-methoxy-2-phenylphenyl)methanone

C27H22O3 — CID 141103935

IUPACbis(3-methoxy-2-phenylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H22O3/c1-29-23-17-9-15-21(25(23)19-11-5-3-6-12-19)27(28)22-16-10-18-24(30-2)26(22)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyWDBGHSQOUMOPRW-UHFFFAOYSA-N
MW394.47 g/mol
LogP6.27
Rot. Bonds6

About bis(3-methoxy-2-phenylphenyl)methanone

bis(3-methoxy-2-phenylphenyl)methanone (PubChem CID 141103935) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is bis(3-methoxy-2-phenylphenyl)methanone.

Molecular Properties

Compound Namebis(3-methoxy-2-phenylphenyl)methanone
PubChem CID141103935
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Namebis(3-methoxy-2-phenylphenyl)methanone
SMILESCOc1cccc(C(=O)c2cccc(OC)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H22O3/c1-29-23-17-9-15-21(25(23)19-11-5-3-6-12-19)27(28)22-16-10-18-24(30-2)26(22)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyWDBGHSQOUMOPRW-UHFFFAOYSA-N
XLogP6.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
(3-methoxy-2-phenylphenyl) trifluoromethanesulfonate
CID 145126504
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
(2-hydroxy-3-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 67681144
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
bis(2-cyclopropyl-3-methoxyphenyl)methanone
CID 73011768
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-2-phenylphenyl)methanone?
The IUPAC name of bis(3-methoxy-2-phenylphenyl)methanone (CID 141103935) is bis(3-methoxy-2-phenylphenyl)methanone.
What is the SMILES notation for bis(3-methoxy-2-phenylphenyl)methanone?
The canonical SMILES for bis(3-methoxy-2-phenylphenyl)methanone is COc1cccc(C(=O)c2cccc(OC)c2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of bis(3-methoxy-2-phenylphenyl)methanone?
The InChIKey is WDBGHSQOUMOPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c1-29-23-17-9-15-21(25(23)19-11-5-3-6-12-19)27(28)22-16-10-18-24(30-2)26(22)20-13-7-4-8-14-20/h3-18H,1-2H3.
What are the key properties of bis(3-methoxy-2-phenylphenyl)methanone?
bis(3-methoxy-2-phenylphenyl)methanone has a molecular weight of 394.47 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-2-phenylphenyl)methanone is sourced from PubChem (CID 141103935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).