1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one

C28H20O5 — CID 10478167

IUPAC1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)c2ccc(OCc3ccccc3)cc2)c2cccc(O)c21
InChIInChI=1S/C28H20O5/c29-22-10-4-8-20-24(21-9-5-11-23(30)26(21)28(32)25(20)22)27(31)18-12-14-19(15-13-18)33-16-17-6-2-1-3-7-17/h1-15,24,29-30H,16H2
InChIKeyGPHWLXMGQIMYEA-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.24
Rot. Bonds5

About 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one

1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one (PubChem CID 10478167) has the molecular formula C28H20O5 and a molecular weight of 436.46 g/mol. Its IUPAC name is 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one
PubChem CID10478167
Molecular FormulaC28H20O5
Molecular Weight436.46 g/mol
Exact Mass436.13
IUPAC Name1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)c2ccc(OCc3ccccc3)cc2)c2cccc(O)c21
InChIInChI=1S/C28H20O5/c29-22-10-4-8-20-24(21-9-5-11-23(30)26(21)28(32)25(20)22)27(31)18-12-14-19(15-13-18)33-16-17-6-2-1-3-7-17/h1-15,24,29-30H,16H2
InChIKeyGPHWLXMGQIMYEA-UHFFFAOYSA-N
XLogP5.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,8-dihydroxy-10-[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]-10H-anthracen-9-one
CID 67789676
1,8-dihydroxy-10-[3-oxo-3-(4-phenylmethoxyphenyl)propyl]-10H-anthracen-9-one
CID 67790176
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
4-phenylmethoxybenzoic acid
CID 68896574
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-phenylmethoxybenzoyl fluoride
CID 154719359
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
CID 66912772

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one (CID 10478167) is 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one is O=C1c2c(O)cccc2C(C(=O)c2ccc(OCc3ccccc3)cc2)c2cccc(O)c21.
What is the InChIKey of 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one?
The InChIKey is GPHWLXMGQIMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O5/c29-22-10-4-8-20-24(21-9-5-11-23(30)26(21)28(32)25(20)22)27(31)18-12-14-19(15-13-18)33-16-17-6-2-1-3-7-17/h1-15,24,29-30H,16H2.
What are the key properties of 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one?
1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one has a molecular weight of 436.46 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-10-(4-phenylmethoxybenzoyl)-10H-anthracen-9-one is sourced from PubChem (CID 10478167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).