3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

C16H18O3 — CID 5382640

IUPAC3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCCCc1cc2c3c(c(=O)oc2cc1O)CCCC3
InChIInChI=1S/C16H18O3/c1-2-5-10-8-13-11-6-3-4-7-12(11)16(18)19-15(13)9-14(10)17/h8-9,17H,2-7H2,1H3
InChIKeyRGEZAAYZWFRNJB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.33
Rot. Bonds2

About 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 5382640) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID5382640
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCCCc1cc2c3c(c(=O)oc2cc1O)CCCC3
InChIInChI=1S/C16H18O3/c1-2-5-10-8-13-11-6-3-4-7-12(11)16(18)19-15(13)9-14(10)17/h8-9,17H,2-7H2,1H3
InChIKeyRGEZAAYZWFRNJB-UHFFFAOYSA-N
XLogP3.33
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one (CID 5382640) is 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is CCCc1cc2c3c(c(=O)oc2cc1O)CCCC3.
What is the InChIKey of 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is RGEZAAYZWFRNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-5-10-8-13-11-6-3-4-7-12(11)16(18)19-15(13)9-14(10)17/h8-9,17H,2-7H2,1H3.
What are the key properties of 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one?
3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 258.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 5382640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).