(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol

C16H24O3 — CID 10587712

IUPAC(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
SMILESCCCCCC(O)/C=C\OCc1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-3-4-5-6-15(17)11-12-19-13-14-7-9-16(18-2)10-8-14/h7-12,15,17H,3-6,13H2,1-2H3/b12-11-
InChIKeyJCFFFUCCUSZVKV-QXMHVHEDSA-N
MW264.37 g/mol
LogP3.67
Rot. Bonds9

About (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol

(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol (PubChem CID 10587712) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
PubChem CID10587712
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
SMILESCCCCCC(O)/C=C\OCc1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-3-4-5-6-15(17)11-12-19-13-14-7-9-16(18-2)10-8-14/h7-12,15,17H,3-6,13H2,1-2H3/b12-11-
InChIKeyJCFFFUCCUSZVKV-QXMHVHEDSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194730
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(E)-1-(methoxymethoxy)oct-1-en-3-ol
CID 11745383
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol?
The IUPAC name of (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol (CID 10587712) is (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol.
What is the SMILES notation for (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol?
The canonical SMILES for (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol is CCCCCC(O)/C=C\OCc1ccc(OC)cc1.
What is the InChIKey of (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol?
The InChIKey is JCFFFUCCUSZVKV-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-4-5-6-15(17)11-12-19-13-14-7-9-16(18-2)10-8-14/h7-12,15,17H,3-6,13H2,1-2H3/b12-11-.
What are the key properties of (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol?
(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol has a molecular weight of 264.37 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol is sourced from PubChem (CID 10587712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).