2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol

C17H18O5 — CID 170171124

IUPAC2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(COc2cccc(O)c2C2OCCO2)cc1
InChIInChI=1S/C17H18O5/c1-19-13-7-5-12(6-8-13)11-22-15-4-2-3-14(18)16(15)17-20-9-10-21-17/h2-8,17-18H,9-11H2,1H3
InChIKeyVWNLCXGEUAGUDP-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol

2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol (PubChem CID 170171124) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
PubChem CID170171124
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
SMILESCOc1ccc(COc2cccc(O)c2C2OCCO2)cc1
InChIInChI=1S/C17H18O5/c1-19-13-7-5-12(6-8-13)11-22-15-4-2-3-14(18)16(15)17-20-9-10-21-17/h2-8,17-18H,9-11H2,1H3
InChIKeyVWNLCXGEUAGUDP-UHFFFAOYSA-N
XLogP3.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol with MolForge

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Related Compounds

methyl 3-[2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]cyclobutane-1-carboxylate
CID 176998448
3-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 169175415
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
CID 169175352
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
2-[4-bromo-3-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dioxolane
CID 169175235
2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 169175472
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
4-[(4-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 175937035
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
CID 170558457
8-[(4-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-ol
CID 70511845

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol (CID 170171124) is 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol is COc1ccc(COc2cccc(O)c2C2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol?
The InChIKey is VWNLCXGEUAGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-13-7-5-12(6-8-13)11-22-15-4-2-3-14(18)16(15)17-20-9-10-21-17/h2-8,17-18H,9-11H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol?
2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol has a molecular weight of 302.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol is sourced from PubChem (CID 170171124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).