(3-methyl-2-phenoxyphenyl)-phenylmethanone

C20H16O2 — CID 154260379

IUPAC(3-methyl-2-phenoxyphenyl)-phenylmethanone
SMILESCc1cccc(C(=O)c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C20H16O2/c1-15-9-8-14-18(19(21)16-10-4-2-5-11-16)20(15)22-17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyQLWJXSDJZWLVEM-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.02
Rot. Bonds4

About (3-methyl-2-phenoxyphenyl)-phenylmethanone

(3-methyl-2-phenoxyphenyl)-phenylmethanone (PubChem CID 154260379) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3-methyl-2-phenoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-2-phenoxyphenyl)-phenylmethanone
PubChem CID154260379
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(3-methyl-2-phenoxyphenyl)-phenylmethanone
SMILESCc1cccc(C(=O)c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C20H16O2/c1-15-9-8-14-18(19(21)16-10-4-2-5-11-16)20(15)22-17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyQLWJXSDJZWLVEM-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
2-(4-acetylphenoxy)-3-methylbenzoic acid
CID 61395933
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
CID 22633824
3-[4-(3-amino-2-phenoxybenzoyl)phenoxy]benzoic acid
CID 19862065
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
2-[4-(carboxymethyl)phenoxy]-3-methylbenzoic acid
CID 152525189
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
2-(4-butylphenoxy)-3-methylbenzoic acid
CID 107112600
2-[2-[4-(2-methylbenzoyl)phenoxy]phenyl]acetic acid
CID 21320367

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenoxyphenyl)-phenylmethanone?
The IUPAC name of (3-methyl-2-phenoxyphenyl)-phenylmethanone (CID 154260379) is (3-methyl-2-phenoxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-methyl-2-phenoxyphenyl)-phenylmethanone?
The canonical SMILES for (3-methyl-2-phenoxyphenyl)-phenylmethanone is Cc1cccc(C(=O)c2ccccc2)c1Oc1ccccc1.
What is the InChIKey of (3-methyl-2-phenoxyphenyl)-phenylmethanone?
The InChIKey is QLWJXSDJZWLVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-15-9-8-14-18(19(21)16-10-4-2-5-11-16)20(15)22-17-12-6-3-7-13-17/h2-14H,1H3.
What are the key properties of (3-methyl-2-phenoxyphenyl)-phenylmethanone?
(3-methyl-2-phenoxyphenyl)-phenylmethanone has a molecular weight of 288.35 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenoxyphenyl)-phenylmethanone is sourced from PubChem (CID 154260379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).