3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one

C17H16O4 — CID 171936010

IUPAC3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(=O)oc3cc(O)cc(C(C)C)c3c2c1
InChIInChI=1S/C17H16O4/c1-9(2)13-6-10(18)7-15-16(13)14-8-11(20-3)4-5-12(14)17(19)21-15/h4-9,18H,1-3H3
InChIKeyNWFACQGMLWXFMQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.78
Rot. Bonds2

About 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one

3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one (PubChem CID 171936010) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one
PubChem CID171936010
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one
SMILESCOc1ccc2c(=O)oc3cc(O)cc(C(C)C)c3c2c1
InChIInChI=1S/C17H16O4/c1-9(2)13-6-10(18)7-15-16(13)14-8-11(20-3)4-5-12(14)17(19)21-15/h4-9,18H,1-3H3
InChIKeyNWFACQGMLWXFMQ-UHFFFAOYSA-N
XLogP3.78
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936004
1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
3-hydroxy-8,10-dimethoxybenzo[c]chromen-6-one
CID 169439551
1-hydroxy-8-methoxy-3-phenylbenzo[c]chromen-6-one
CID 57325894
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
1-hydroxy-7-methoxy-3-propan-2-yloxyxanthen-9-one
CID 6221914
6,13-dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
CID 11737608
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
4-chloro-3-hydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936003
1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
CID 171935988
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one (CID 171936010) is 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one is COc1ccc2c(=O)oc3cc(O)cc(C(C)C)c3c2c1.
What is the InChIKey of 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one?
The InChIKey is NWFACQGMLWXFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-9(2)13-6-10(18)7-15-16(13)14-8-11(20-3)4-5-12(14)17(19)21-15/h4-9,18H,1-3H3.
What are the key properties of 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one?
3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one has a molecular weight of 284.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-methoxy-1-propan-2-ylbenzo[c]chromen-6-one is sourced from PubChem (CID 171936010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).