(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone

C17H18O5 — CID 69205784

IUPAC(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCCOc1cc(C(=O)c2ccc(OC)c(O)c2)ccc1OC
InChIInChI=1S/C17H18O5/c1-4-22-16-10-12(6-8-15(16)21-3)17(19)11-5-7-14(20-2)13(18)9-11/h5-10,18H,4H2,1-3H3
InChIKeyDOLRTCNJAWNLNB-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.04
Rot. Bonds6

About (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone

(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 69205784) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID69205784
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCCOc1cc(C(=O)c2ccc(OC)c(O)c2)ccc1OC
InChIInChI=1S/C17H18O5/c1-4-22-16-10-12(6-8-15(16)21-3)17(19)11-5-7-14(20-2)13(18)9-11/h5-10,18H,4H2,1-3H3
InChIKeyDOLRTCNJAWNLNB-UHFFFAOYSA-N
XLogP3.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
3-ethoxy-4-methoxybenzoate
CID 7020473
3-(3-ethoxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile
CID 69202696
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
3-hydroxy-4-methoxybenzoic acid
CID 12575
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone (CID 69205784) is (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone is CCOc1cc(C(=O)c2ccc(OC)c(O)c2)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is DOLRTCNJAWNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-4-22-16-10-12(6-8-15(16)21-3)17(19)11-5-7-14(20-2)13(18)9-11/h5-10,18H,4H2,1-3H3.
What are the key properties of (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone?
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 302.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 69205784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).