1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol

C19H24O4 — CID 123594321

IUPAC1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
SMILESCOCC(O)c1ccc(Cc2ccc(OCC(C)O)cc2)cc1
InChIInChI=1S/C19H24O4/c1-14(20)12-23-18-9-5-16(6-10-18)11-15-3-7-17(8-4-15)19(21)13-22-2/h3-10,14,19-21H,11-13H2,1-2H3
InChIKeyNWNSFIFLWKHMEL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.72
Rot. Bonds8

About 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol

1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol (PubChem CID 123594321) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
PubChem CID123594321
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
SMILESCOCC(O)c1ccc(Cc2ccc(OCC(C)O)cc2)cc1
InChIInChI=1S/C19H24O4/c1-14(20)12-23-18-9-5-16(6-10-18)11-15-3-7-17(8-4-15)19(21)13-22-2/h3-10,14,19-21H,11-13H2,1-2H3
InChIKeyNWNSFIFLWKHMEL-UHFFFAOYSA-N
XLogP2.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159356219
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12760476
1-[4-[(4-pent-4-ynoxyphenyl)methyl]phenoxy]propan-2-ol
CID 159897530
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
CID 68789075
1-(4-aminophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanol
CID 62266291
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
methyl 2-[4-(2-hydroxypropoxy)phenyl]propanoate
CID 139911211
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 121279067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol (CID 123594321) is 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol is COCC(O)c1ccc(Cc2ccc(OCC(C)O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol?
The InChIKey is NWNSFIFLWKHMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-14(20)12-23-18-9-5-16(6-10-18)11-15-3-7-17(8-4-15)19(21)13-22-2/h3-10,14,19-21H,11-13H2,1-2H3.
What are the key properties of 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol?
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol has a molecular weight of 316.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 123594321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).