1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one

C22H18O4 — CID 10382977

IUPAC1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one
SMILESCOc1ccccc1Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C22H18O4/c1-26-18-8-3-2-5-13(18)11-16-10-9-15-12-14-6-4-7-17(23)19(14)22(25)20(15)21(16)24/h2-10,23-24H,11-12H2,1H3
InChIKeyBPWAUIILLPPHPP-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.83
Rot. Bonds3

About 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one

1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one (PubChem CID 10382977) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one
PubChem CID10382977
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one
SMILESCOc1ccccc1Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C22H18O4/c1-26-18-8-3-2-5-13(18)11-16-10-9-15-12-14-6-4-7-17(23)19(14)22(25)20(15)21(16)24/h2-10,23-24H,11-12H2,1H3
InChIKeyBPWAUIILLPPHPP-UHFFFAOYSA-N
XLogP3.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one?
The IUPAC name of 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one (CID 10382977) is 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one.
What is the SMILES notation for 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one?
The canonical SMILES for 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one is COc1ccccc1Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2.
What is the InChIKey of 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one?
The InChIKey is BPWAUIILLPPHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-26-18-8-3-2-5-13(18)11-16-10-9-15-12-14-6-4-7-17(23)19(14)22(25)20(15)21(16)24/h2-10,23-24H,11-12H2,1H3.
What are the key properties of 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one?
1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one has a molecular weight of 346.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-2-[(2-methoxyphenyl)methyl]-10H-anthracen-9-one is sourced from PubChem (CID 10382977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).