(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone

C28H24O5 — CID 159601745

IUPAC(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O3.C14H12O2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-9,15H,1H3;2-10H,1H3
InChIKeyMLOJFCQUQKVMRD-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.56
Rot. Bonds6

About (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone (PubChem CID 159601745) has the molecular formula C28H24O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
PubChem CID159601745
Molecular FormulaC28H24O5
Molecular Weight440.50 g/mol
Exact Mass440.16
IUPAC Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12O3.C14H12O2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-9,15H,1H3;2-10H,1H3
InChIKeyMLOJFCQUQKVMRD-UHFFFAOYSA-N
XLogP5.56
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 175499515
CID 175499515
CID 172864174
CID 172864174
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
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CID 22162022
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
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CID 118272160
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
CID 158503337
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
1-amino-3-methyliminourea;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 154963188

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone (CID 159601745) is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone is COc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone?
The InChIKey is MLOJFCQUQKVMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C14H12O2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-9,15H,1H3;2-10H,1H3.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone?
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone has a molecular weight of 440.50 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 159601745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).