8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one

C30H17ClO8 — CID 170990051

IUPAC8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(O)c(Oc3ccc(-c4coc5c(Cl)c(O)ccc5c4=O)cc3)c2)coc2cc(O)ccc12
InChIInChI=1S/C30H17ClO8/c31-27-24(34)10-8-20-29(36)21(14-38-30(20)27)15-1-5-18(6-2-15)39-26-11-16(3-9-23(26)33)22-13-37-25-12-17(32)4-7-19(25)28(22)35/h1-14,32-34H
InChIKeySHNUOEZKLYTPJU-UHFFFAOYSA-N
MW540.91 g/mol
LogP6.80
Rot. Bonds4

About 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one

8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one (PubChem CID 170990051) has the molecular formula C30H17ClO8 and a molecular weight of 540.91 g/mol. Its IUPAC name is 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
PubChem CID170990051
Molecular FormulaC30H17ClO8
Molecular Weight540.91 g/mol
Exact Mass540.06
IUPAC Name8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(O)c(Oc3ccc(-c4coc5c(Cl)c(O)ccc5c4=O)cc3)c2)coc2cc(O)ccc12
InChIInChI=1S/C30H17ClO8/c31-27-24(34)10-8-20-29(36)21(14-38-30(20)27)15-1-5-18(6-2-15)39-26-11-16(3-9-23(26)33)22-13-37-25-12-17(32)4-7-19(25)28(22)35/h1-14,32-34H
InChIKeySHNUOEZKLYTPJU-UHFFFAOYSA-N
XLogP6.80
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.91
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hydroxy-3-[4-hydroxy-3-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
CID 163056951
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;[3-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-chloroacetate
CID 158879898
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953
7-hydroxy-3-(4-iodophenoxy)chromen-4-one
CID 5428913
3-(4-ethenylphenyl)-7-hydroxychromen-4-one
CID 71481413
7-hydroxy-3-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 25211267
Daidzein 7-Sulfate Potassium Salt
CID 169436996
3-(4-chlorophenyl)-1-benzofuran-6-ol
CID 69170882
7-hydroxy-3-(2-hydroxyphenoxy)chromen-4-one
CID 165346061

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
The IUPAC name of 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one (CID 170990051) is 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one.
What is the SMILES notation for 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
The canonical SMILES for 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one is O=c1c(-c2ccc(O)c(Oc3ccc(-c4coc5c(Cl)c(O)ccc5c4=O)cc3)c2)coc2cc(O)ccc12.
What is the InChIKey of 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
The InChIKey is SHNUOEZKLYTPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17ClO8/c31-27-24(34)10-8-20-29(36)21(14-38-30(20)27)15-1-5-18(6-2-15)39-26-11-16(3-9-23(26)33)22-13-37-25-12-17(32)4-7-19(25)28(22)35/h1-14,32-34H.
What are the key properties of 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one?
8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one has a molecular weight of 540.91 g/mol, XLogP of 6.80, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one is sourced from PubChem (CID 170990051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).