1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

C15H20O3 — CID 163060633

IUPAC1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESC=C(CO)C1=CC2(C)C(=C(O)C1=O)CCCC2C
InChIInChI=1S/C15H20O3/c1-9(8-16)11-7-15(3)10(2)5-4-6-12(15)14(18)13(11)17/h7,10,16,18H,1,4-6,8H2,2-3H3
InChIKeyUUASOSRWNPHZNZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.68
Rot. Bonds2

About 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 163060633) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID163060633
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESC=C(CO)C1=CC2(C)C(=C(O)C1=O)CCCC2C
InChIInChI=1S/C15H20O3/c1-9(8-16)11-7-15(3)10(2)5-4-6-12(15)14(18)13(11)17/h7,10,16,18H,1,4-6,8H2,2-3H3
InChIKeyUUASOSRWNPHZNZ-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (CID 163060633) is 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is C=C(CO)C1=CC2(C)C(=C(O)C1=O)CCCC2C.
What is the InChIKey of 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is UUASOSRWNPHZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(8-16)11-7-15(3)10(2)5-4-6-12(15)14(18)13(11)17/h7,10,16,18H,1,4-6,8H2,2-3H3.
What are the key properties of 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 163060633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).