3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one

C30H26O5 — CID 139826440

IUPAC3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OCc2ccccc2)ccc1C(=O)C=Cc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C30H26O5/c1-33-30-19-26(35-21-23-10-6-3-7-11-23)15-16-27(30)28(31)17-13-24-12-14-25(18-29(24)32)34-20-22-8-4-2-5-9-22/h2-19,32H,20-21H2,1H3
InChIKeyJUGSMFUAPMBOMB-UHFFFAOYSA-N
MW466.53 g/mol
LogP6.45
Rot. Bonds10

About 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one

3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 139826440) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID139826440
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OCc2ccccc2)ccc1C(=O)C=Cc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C30H26O5/c1-33-30-19-26(35-21-23-10-6-3-7-11-23)15-16-27(30)28(31)17-13-24-12-14-25(18-29(24)32)34-20-22-8-4-2-5-9-22/h2-19,32H,20-21H2,1H3
InChIKeyJUGSMFUAPMBOMB-UHFFFAOYSA-N
XLogP6.45
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
1-(4-ethoxy-2-methoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826653
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
3-(2-ethoxy-4-methoxyphenyl)-1-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826570
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690
1-(2-ethoxy-4-phenylmethoxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826595
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171
1,3-bis(4-hydroxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139808020
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2-methoxy-3,4,6-trimethyl-5-phenylmethoxyphenyl)prop-2-en-1-one
CID 54134637

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one (CID 139826440) is 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one is COc1cc(OCc2ccccc2)ccc1C(=O)C=Cc1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is JUGSMFUAPMBOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O5/c1-33-30-19-26(35-21-23-10-6-3-7-11-23)15-16-27(30)28(31)17-13-24-12-14-25(18-29(24)32)34-20-22-8-4-2-5-9-22/h2-19,32H,20-21H2,1H3.
What are the key properties of 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 466.53 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 139826440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).