2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol

C20H20O3 — CID 100944960

IUPAC2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
SMILESCOc1ccc(C(CO)C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O3/c1-23-18-10-8-15(9-11-18)19(13-21)20(22)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-22H,13H2,1H3
InChIKeyFVFUJAQALKPCDS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.66
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol

2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol (PubChem CID 100944960) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
PubChem CID100944960
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
SMILESCOc1ccc(C(CO)C(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20O3/c1-23-18-10-8-15(9-11-18)19(13-21)20(22)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-22H,13H2,1H3
InChIKeyFVFUJAQALKPCDS-UHFFFAOYSA-N
XLogP3.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol
CID 164900088
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
4-chloro-1-(6-methoxynaphthalen-2-yl)butane-1,2-diol
CID 171894610
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol?
The IUPAC name of 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol (CID 100944960) is 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol is COc1ccc(C(CO)C(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol?
The InChIKey is FVFUJAQALKPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-23-18-10-8-15(9-11-18)19(13-21)20(22)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,19-22H,13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol?
2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol has a molecular weight of 308.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol is sourced from PubChem (CID 100944960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).