[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol

C32H30O7 — CID 91418793

IUPAC[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol
SMILESCOc1ccc(C(=Cc2cccc(OCO)c2)OC(=Cc2cccc(OCO)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H30O7/c1-35-27-13-9-25(10-14-27)31(19-23-5-3-7-29(17-23)37-21-33)39-32(26-11-15-28(36-2)16-12-26)20-24-6-4-8-30(18-24)38-22-34/h3-20,33-34H,21-22H2,1-2H3
InChIKeyWUCUQPFBVDBIBO-UHFFFAOYSA-N
MW526.59 g/mol
LogP6.07
Rot. Bonds12

About [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol

[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol (PubChem CID 91418793) has the molecular formula C32H30O7 and a molecular weight of 526.59 g/mol. Its IUPAC name is [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol.

Molecular Properties

Compound Name[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol
PubChem CID91418793
Molecular FormulaC32H30O7
Molecular Weight526.59 g/mol
Exact Mass526.20
IUPAC Name[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol
SMILESCOc1ccc(C(=Cc2cccc(OCO)c2)OC(=Cc2cccc(OCO)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H30O7/c1-35-27-13-9-25(10-14-27)31(19-23-5-3-7-29(17-23)37-21-33)39-32(26-11-15-28(36-2)16-12-26)20-24-6-4-8-30(18-24)38-22-34/h3-20,33-34H,21-22H2,1-2H3
InChIKeyWUCUQPFBVDBIBO-UHFFFAOYSA-N
XLogP6.07
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenoxy)methanol
CID 10442564
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(4-methoxyphenoxy)methanol
CID 20580272
(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20984254
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
1-methoxy-3-[(1E,3Z)-1,3,4-tris(3-methoxyphenyl)-1-(4-methoxyphenyl)buta-1,3-dien-2-yl]benzene
CID 164679248
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene
CID 138987762
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol?
The IUPAC name of [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol (CID 91418793) is [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol.
What is the SMILES notation for [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol?
The canonical SMILES for [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol is COc1ccc(C(=Cc2cccc(OCO)c2)OC(=Cc2cccc(OCO)c2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol?
The InChIKey is WUCUQPFBVDBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O7/c1-35-27-13-9-25(10-14-27)31(19-23-5-3-7-29(17-23)37-21-33)39-32(26-11-15-28(36-2)16-12-26)20-24-6-4-8-30(18-24)38-22-34/h3-20,33-34H,21-22H2,1-2H3.
What are the key properties of [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol?
[3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol has a molecular weight of 526.59 g/mol, XLogP of 6.07, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-[3-(hydroxymethoxy)phenyl]-1-(4-methoxyphenyl)ethenoxy]-2-(4-methoxyphenyl)ethenyl]phenoxy]methanol is sourced from PubChem (CID 91418793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).