[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol

C25H34O3 — CID 141024330

IUPAC[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol
SMILESCCC(CC)CC/C=C(\C)c1cccc(OCc2ccc(CO)c(CO)c2)c1
InChIInChI=1S/C25H34O3/c1-4-20(5-2)9-6-8-19(3)22-10-7-11-25(15-22)28-18-21-12-13-23(16-26)24(14-21)17-27/h7-8,10-15,20,26-27H,4-6,9,16-18H2,1-3H3/b19-8+
InChIKeyGRWOLMXVJAPSDF-UFWORHAWSA-N
MW382.54 g/mol
LogP5.87
Rot. Bonds11

About [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol

[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol (PubChem CID 141024330) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol
PubChem CID141024330
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol
SMILESCCC(CC)CC/C=C(\C)c1cccc(OCc2ccc(CO)c(CO)c2)c1
InChIInChI=1S/C25H34O3/c1-4-20(5-2)9-6-8-19(3)22-10-7-11-25(15-22)28-18-21-12-13-23(16-26)24(14-21)17-27/h7-8,10-15,20,26-27H,4-6,9,16-18H2,1-3H3/b19-8+
InChIKeyGRWOLMXVJAPSDF-UFWORHAWSA-N
XLogP5.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol with MolForge

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Related Compounds

7-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-3-ethylocta-4,6-dien-3-ol
CID 57058058
(Z)-7-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-3-ethyloct-6-en-4-yn-3-ol
CID 87435429
4-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-1-cyclopropylhex-3-en-1-ol
CID 54148992
1-[(E)-1-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]ethylideneamino]oxy-2-methylpropan-2-ol
CID 87950408
ethyl 2-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]oct-4-enoate
CID 141024320
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
dimethyl 4-[[3-[(Z)-8-hydroxy-8-methylnon-2-en-2-yl]phenoxy]methyl]benzene-1,2-dicarboxylate
CID 23439723
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
(E)-3-[3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]but-2-en-1-ol
CID 10739135
ethyl (Z)-3-(3-phenylmethoxyphenyl)but-2-enoate
CID 70527588

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol (CID 141024330) is [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol is CCC(CC)CC/C=C(\C)c1cccc(OCc2ccc(CO)c(CO)c2)c1.
What is the InChIKey of [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol?
The InChIKey is GRWOLMXVJAPSDF-UFWORHAWSA-N. The full InChI is InChI=1S/C25H34O3/c1-4-20(5-2)9-6-8-19(3)22-10-7-11-25(15-22)28-18-21-12-13-23(16-26)24(14-21)17-27/h7-8,10-15,20,26-27H,4-6,9,16-18H2,1-3H3/b19-8+.
What are the key properties of [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol?
[4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol has a molecular weight of 382.54 g/mol, XLogP of 5.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[(E)-6-ethyloct-2-en-2-yl]phenoxy]methyl]-2-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 141024330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).