8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one

C18H13ClO3 — CID 155894878

IUPAC8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2c(Cl)c(C3CC3)ccc12
InChIInChI=1S/C18H13ClO3/c19-17-13(10-1-2-10)7-8-14-15(21)9-16(22-18(14)17)11-3-5-12(20)6-4-11/h3-10,20H,1-2H2
InChIKeyLMNFUYWEMQQPDH-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.70
Rot. Bonds2

About 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one

8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one (PubChem CID 155894878) has the molecular formula C18H13ClO3 and a molecular weight of 312.75 g/mol. Its IUPAC name is 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID155894878
Molecular FormulaC18H13ClO3
Molecular Weight312.75 g/mol
Exact Mass312.06
IUPAC Name8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2c(Cl)c(C3CC3)ccc12
InChIInChI=1S/C18H13ClO3/c19-17-13(10-1-2-10)7-8-14-15(21)9-16(22-18(14)17)11-3-5-12(20)6-4-11/h3-10,20H,1-2H2
InChIKeyLMNFUYWEMQQPDH-UHFFFAOYSA-N
XLogP4.70
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
8-chloro-2-(4-methylphenyl)-7-sulfanylchromen-4-one
CID 146510091
8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 70069758
2-(4-hydroxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141466718
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
CID 688877
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700
8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one
CID 146443693
2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
CID 70487550

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one (CID 155894878) is 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one is O=c1cc(-c2ccc(O)cc2)oc2c(Cl)c(C3CC3)ccc12.
What is the InChIKey of 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is LMNFUYWEMQQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3/c19-17-13(10-1-2-10)7-8-14-15(21)9-16(22-18(14)17)11-3-5-12(20)6-4-11/h3-10,20H,1-2H2.
What are the key properties of 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one?
8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 312.75 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 155894878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).