1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one

C29H22O5 — CID 10366494

IUPAC1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2ccc(OCc3ccccc3)cc2)c2cccc(O)c21
InChIInChI=1S/C29H22O5/c30-23-10-4-8-21-26(22-9-5-11-24(31)28(22)29(33)27(21)23)25(32)16-18-12-14-20(15-13-18)34-17-19-6-2-1-3-7-19/h1-15,26,30-31H,16-17H2
InChIKeyYIVXRIKQEZBYQB-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.16
Rot. Bonds6

About 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one

1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one (PubChem CID 10366494) has the molecular formula C29H22O5 and a molecular weight of 450.49 g/mol. Its IUPAC name is 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one
PubChem CID10366494
Molecular FormulaC29H22O5
Molecular Weight450.49 g/mol
Exact Mass450.15
IUPAC Name1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2ccc(OCc3ccccc3)cc2)c2cccc(O)c21
InChIInChI=1S/C29H22O5/c30-23-10-4-8-21-26(22-9-5-11-24(31)28(22)29(33)27(21)23)25(32)16-18-12-14-20(15-13-18)34-17-19-6-2-1-3-7-19/h1-15,26,30-31H,16-17H2
InChIKeyYIVXRIKQEZBYQB-UHFFFAOYSA-N
XLogP5.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one (CID 10366494) is 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one is O=C1c2c(O)cccc2C(C(=O)Cc2ccc(OCc3ccccc3)cc2)c2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one?
The InChIKey is YIVXRIKQEZBYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O5/c30-23-10-4-8-21-26(22-9-5-11-24(31)28(22)29(33)27(21)23)25(32)16-18-12-14-20(15-13-18)34-17-19-6-2-1-3-7-19/h1-15,26,30-31H,16-17H2.
What are the key properties of 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one?
1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one has a molecular weight of 450.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-[2-(4-phenylmethoxyphenyl)acetyl]-10H-anthracen-9-one is sourced from PubChem (CID 10366494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).