(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid

C24H22O6 — CID 158503337

IUPAC(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
SMILESCOC(=Cc1ccccc1)C(=O)O.COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C14H12O3.C10H10O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-9,15H,1H3;2-7H,1H3,(H,11,12)
InChIKeyHKEBDKYMCPJTRM-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.39
Rot. Bonds6

About (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid (PubChem CID 158503337) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
PubChem CID158503337
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
SMILESCOC(=Cc1ccccc1)C(=O)O.COc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C14H12O3.C10H10O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-9,15H,1H3;2-7H,1H3,(H,11,12)
InChIKeyHKEBDKYMCPJTRM-UHFFFAOYSA-N
XLogP4.39
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 175499515
CID 175499515
CID 172864174
CID 172864174
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
1-amino-3-methyliminourea;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 154963188
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid (CID 158503337) is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid is COC(=Cc1ccccc1)C(=O)O.COc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid?
The InChIKey is HKEBDKYMCPJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C10H10O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-9,15H,1H3;2-7H,1H3,(H,11,12).
What are the key properties of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid?
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid has a molecular weight of 406.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid is sourced from PubChem (CID 158503337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).