2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol

C19H20O5 — CID 22970791

IUPAC2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol
SMILESCCCOc1cc(O)c(C#Cc2ccc(OC)c(O)c2)cc1OC
InChIInChI=1S/C19H20O5/c1-4-9-24-19-12-15(20)14(11-18(19)23-3)7-5-13-6-8-17(22-2)16(21)10-13/h6,8,10-12,20-21H,4,9H2,1-3H3
InChIKeyOYPLWKOPTSJFAQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.30
Rot. Bonds5

About 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol

2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol (PubChem CID 22970791) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol.

Molecular Properties

Compound Name2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol
PubChem CID22970791
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol
SMILESCCCOc1cc(O)c(C#Cc2ccc(OC)c(O)c2)cc1OC
InChIInChI=1S/C19H20O5/c1-4-9-24-19-12-15(20)14(11-18(19)23-3)7-5-13-6-8-17(22-2)16(21)10-13/h6,8,10-12,20-21H,4,9H2,1-3H3
InChIKeyOYPLWKOPTSJFAQ-UHFFFAOYSA-N
XLogP3.30
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-propoxyphenol
CID 82053946
4-propoxybenzene-1,3-diol
CID 66563298
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
1-[2-(2,5-dipropoxyphenyl)ethynyl]-4-[2-[4-[2-(2,5-dipropoxyphenyl)ethynyl]-2,5-dipropoxyphenyl]ethynyl]-2,5-dipropoxybenzene
CID 11828930
1-[2-[4-[2-[4,5-didodecoxy-2-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]-4,5-didodecoxy-2-(2-phenylethynyl)benzene
CID 102522534
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
4-hydroxy-3-propoxybenzonitrile
CID 142309388
[5-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethynyl]-4-methoxyphenyl] 2-iodoacetate;praseodymium
CID 59113951
2-[2-[2,5-dibutoxy-4-[2-[2,5-dibutoxy-4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethynyl]-6-methoxynaphthalene
CID 102449941
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
5-[2-(3,4-dimethoxyphenyl)ethynyl]benzene-1,3-diol
CID 171920433
4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
CID 155213251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol?
The IUPAC name of 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol (CID 22970791) is 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol.
What is the SMILES notation for 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol?
The canonical SMILES for 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol is CCCOc1cc(O)c(C#Cc2ccc(OC)c(O)c2)cc1OC.
What is the InChIKey of 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol?
The InChIKey is OYPLWKOPTSJFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-4-9-24-19-12-15(20)14(11-18(19)23-3)7-5-13-6-8-17(22-2)16(21)10-13/h6,8,10-12,20-21H,4,9H2,1-3H3.
What are the key properties of 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol?
2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol has a molecular weight of 328.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propoxyphenol is sourced from PubChem (CID 22970791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).