[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol

C18H20O4 — CID 19261739

IUPAC[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
SMILESOCc1ccc(OC/C=C\COc2ccc(CO)cc2)cc1
InChIInChI=1S/C18H20O4/c19-13-15-3-7-17(8-4-15)21-11-1-2-12-22-18-9-5-16(14-20)6-10-18/h1-10,19-20H,11-14H2/b2-1-
InChIKeyWOBPQDNAJIYBCE-UPHRSURJSA-N
MW300.35 g/mol
LogP2.69
Rot. Bonds8

About [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol

[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol (PubChem CID 19261739) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
PubChem CID19261739
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
SMILESOCc1ccc(OC/C=C\COc2ccc(CO)cc2)cc1
InChIInChI=1S/C18H20O4/c19-13-15-3-7-17(8-4-15)21-11-1-2-12-22-18-9-5-16(14-20)6-10-18/h1-10,19-20H,11-14H2/b2-1-
InChIKeyWOBPQDNAJIYBCE-UPHRSURJSA-N
XLogP2.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(methoxymethoxy)phenyl]methanol
CID 11607984
[4-(hydroxymethyl)phenoxy]methyl formate
CID 155618940
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
(4-methoxyphenyl)methanol
CID 7738
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol?
The IUPAC name of [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol (CID 19261739) is [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol.
What is the SMILES notation for [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol?
The canonical SMILES for [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol is OCc1ccc(OC/C=C\COc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol?
The InChIKey is WOBPQDNAJIYBCE-UPHRSURJSA-N. The full InChI is InChI=1S/C18H20O4/c19-13-15-3-7-17(8-4-15)21-11-1-2-12-22-18-9-5-16(14-20)6-10-18/h1-10,19-20H,11-14H2/b2-1-.
What are the key properties of [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol?
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol has a molecular weight of 300.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol is sourced from PubChem (CID 19261739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).