6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one

C31H28O6 — CID 11799435

IUPAC6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(cc4ccc(OCc5cccc(C6(O)CCOCC6)c5)cc24)C(=O)OC3)cc1
InChIInChI=1S/C31H28O6/c1-34-24-8-5-21(6-9-24)29-26-17-25(10-7-22(26)16-27-28(29)19-37-30(27)32)36-18-20-3-2-4-23(15-20)31(33)11-13-35-14-12-31/h2-10,15-17,33H,11-14,18-19H2,1H3
InChIKeyZWQVBMFCINOKKM-UHFFFAOYSA-N
MW496.56 g/mol
LogP5.76
Rot. Bonds6

About 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one

6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one (PubChem CID 11799435) has the molecular formula C31H28O6 and a molecular weight of 496.56 g/mol. Its IUPAC name is 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
PubChem CID11799435
Molecular FormulaC31H28O6
Molecular Weight496.56 g/mol
Exact Mass496.19
IUPAC Name6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(cc4ccc(OCc5cccc(C6(O)CCOCC6)c5)cc24)C(=O)OC3)cc1
InChIInChI=1S/C31H28O6/c1-34-24-8-5-21(6-9-24)29-26-17-25(10-7-22(26)16-27-28(29)19-37-30(27)32)36-18-20-3-2-4-23(15-20)31(33)11-13-35-14-12-31/h2-10,15-17,33H,11-14,18-19H2,1H3
InChIKeyZWQVBMFCINOKKM-UHFFFAOYSA-N
XLogP5.76
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one with MolForge

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Related Compounds

6-[[3-[(1S,5R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]methoxy]-4-phenyl-3H-benzo[f][2]benzofuran-1-one
CID 10791232
4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 10527001
4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
CID 10672772
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
CID 42609834
6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one
CID 18325133
7-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]imidazo[1,2-a]quinoline
CID 24876307
6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
CID 10022483
[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485851
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one (CID 11799435) is 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one is COc1ccc(-c2c3c(cc4ccc(OCc5cccc(C6(O)CCOCC6)c5)cc24)C(=O)OC3)cc1.
What is the InChIKey of 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is ZWQVBMFCINOKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O6/c1-34-24-8-5-21(6-9-24)29-26-17-25(10-7-22(26)16-27-28(29)19-37-30(27)32)36-18-20-3-2-4-23(15-20)31(33)11-13-35-14-12-31/h2-10,15-17,33H,11-14,18-19H2,1H3.
What are the key properties of 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 496.56 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 11799435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).