1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene

C37H34O5 — CID 52916293

IUPAC1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
SMILESCOCOc1cc(OCc2ccccc2)ccc1/C=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C37H34O5/c1-38-28-42-37-24-35(40-26-30-13-7-3-8-14-30)22-20-33(37)18-17-32-19-21-34(39-25-29-11-5-2-6-12-29)23-36(32)41-27-31-15-9-4-10-16-31/h2-24H,25-28H2,1H3/b18-17-
InChIKeyRCWXDHCGQZGMOX-ZCXUNETKSA-N
MW558.67 g/mol
LogP8.58
Rot. Bonds14

About 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene

1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene (PubChem CID 52916293) has the molecular formula C37H34O5 and a molecular weight of 558.67 g/mol. Its IUPAC name is 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
PubChem CID52916293
Molecular FormulaC37H34O5
Molecular Weight558.67 g/mol
Exact Mass558.24
IUPAC Name1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
SMILESCOCOc1cc(OCc2ccccc2)ccc1/C=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C37H34O5/c1-38-28-42-37-24-35(40-26-30-13-7-3-8-14-30)22-20-33(37)18-17-32-19-21-34(39-25-29-11-5-2-6-12-29)23-36(32)41-27-31-15-9-4-10-16-31/h2-24H,25-28H2,1H3/b18-17-
InChIKeyRCWXDHCGQZGMOX-ZCXUNETKSA-N
XLogP8.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
CID 72671041
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene
CID 54436415
1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
CID 6709920
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
1-(2-ethoxy-4-phenylmethoxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826595
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
(E)-1-[2,4-bis(phenylmethoxy)phenyl]oct-1-en-3-ol
CID 70461454
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
1,3-bis(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826690
3-(2-ethoxy-4-methoxyphenyl)-1-(2-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826570

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene?
The IUPAC name of 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene (CID 52916293) is 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene is COCOc1cc(OCc2ccccc2)ccc1/C=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene?
The InChIKey is RCWXDHCGQZGMOX-ZCXUNETKSA-N. The full InChI is InChI=1S/C37H34O5/c1-38-28-42-37-24-35(40-26-30-13-7-3-8-14-30)22-20-33(37)18-17-32-19-21-34(39-25-29-11-5-2-6-12-29)23-36(32)41-27-31-15-9-4-10-16-31/h2-24H,25-28H2,1H3/b18-17-.
What are the key properties of 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene?
1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene has a molecular weight of 558.67 g/mol, XLogP of 8.58, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene is sourced from PubChem (CID 52916293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).