1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one

C23H18O4 — CID 10498597

IUPAC1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one
SMILESO=C1c2c(O)cccc2C(O)(C/C=C/c2ccccc2)c2cccc(O)c21
InChIInChI=1S/C23H18O4/c24-18-12-4-10-16-20(18)22(26)21-17(11-5-13-19(21)25)23(16,27)14-6-9-15-7-2-1-3-8-15/h1-13,24-25,27H,14H2/b9-6+
InChIKeyHDPIAWJNIQUJQW-RMKNXTFCSA-N
MW358.39 g/mol
LogP3.98
Rot. Bonds3

About 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one

1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one (PubChem CID 10498597) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one.

Molecular Properties

Compound Name1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one
PubChem CID10498597
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one
SMILESO=C1c2c(O)cccc2C(O)(C/C=C/c2ccccc2)c2cccc(O)c21
InChIInChI=1S/C23H18O4/c24-18-12-4-10-16-20(18)22(26)21-17(11-5-13-19(21)25)23(16,27)14-6-9-15-7-2-1-3-8-15/h1-13,24-25,27H,14H2/b9-6+
InChIKeyHDPIAWJNIQUJQW-RMKNXTFCSA-N
XLogP3.98
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 101442795
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CID 91021368
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-3-[(E)-3-phenylprop-2-enyl]oxolane-2,4-dione
CID 10404497
(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one
CID 134957573
but-1-enylbenzene;3-phenylbenzene-1,2-diol
CID 174676185
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
4-hydroxy-2,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
CID 24761040
(3S)-3-benzyl-7-methoxy-3-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-one
CID 134946999

Frequently Asked Questions

What is the IUPAC name of 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one?
The IUPAC name of 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one (CID 10498597) is 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one.
What is the SMILES notation for 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one?
The canonical SMILES for 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one is O=C1c2c(O)cccc2C(O)(C/C=C/c2ccccc2)c2cccc(O)c21.
What is the InChIKey of 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one?
The InChIKey is HDPIAWJNIQUJQW-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H18O4/c24-18-12-4-10-16-20(18)22(26)21-17(11-5-13-19(21)25)23(16,27)14-6-9-15-7-2-1-3-8-15/h1-13,24-25,27H,14H2/b9-6+.
What are the key properties of 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one?
1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one has a molecular weight of 358.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10-trihydroxy-10-[(E)-3-phenylprop-2-enyl]anthracen-9-one is sourced from PubChem (CID 10498597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).