[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate

C32H28O6 — CID 58864023

IUPAC[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28O6/c1-34-26-16-15-20(13-14-21-18-28(35-2)31(37-4)29(19-21)36-3)17-27(26)38-32(33)30-24-11-7-5-9-22(24)23-10-6-8-12-25(23)30/h5-19,30H,1-4H3/b14-13-
InChIKeyBNOODOZEYLYPNO-YPKPFQOOSA-N
MW508.57 g/mol
LogP6.61
Rot. Bonds8

About [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate

[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate (PubChem CID 58864023) has the molecular formula C32H28O6 and a molecular weight of 508.57 g/mol. Its IUPAC name is [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate.

Molecular Properties

Compound Name[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate
PubChem CID58864023
Molecular FormulaC32H28O6
Molecular Weight508.57 g/mol
Exact Mass508.19
IUPAC Name[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H28O6/c1-34-26-16-15-20(13-14-21-18-28(35-2)31(37-4)29(19-21)36-3)17-27(26)38-32(33)30-24-11-7-5-9-22(24)23-10-6-8-12-25(23)30/h5-19,30H,1-4H3/b14-13-
InChIKeyBNOODOZEYLYPNO-YPKPFQOOSA-N
XLogP6.61
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
CID 20742908
5-[methyl-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxypropyl]amino]pentyl 9H-fluorene-9-carboxylate
CID 118715953
9H-fluoren-9-ylmethyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 22877917
2-amino-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid;hydrochloride
CID 5467055
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
N-hydroxy-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 175984016
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 77450683
[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-3-oxopropyl] acetate
CID 75110781

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate?
The IUPAC name of [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate (CID 58864023) is [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate.
What is the SMILES notation for [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate?
The canonical SMILES for [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate?
The InChIKey is BNOODOZEYLYPNO-YPKPFQOOSA-N. The full InChI is InChI=1S/C32H28O6/c1-34-26-16-15-20(13-14-21-18-28(35-2)31(37-4)29(19-21)36-3)17-27(26)38-32(33)30-24-11-7-5-9-22(24)23-10-6-8-12-25(23)30/h5-19,30H,1-4H3/b14-13-.
What are the key properties of [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate?
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate has a molecular weight of 508.57 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate is sourced from PubChem (CID 58864023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).