(3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one

C14H16O2 — CID 5325815

IUPAC(3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESC=C(C)[C@@H]1CC(=O)c2ccc(O)c(C)c2C1
InChIInChI=1S/C14H16O2/c1-8(2)10-6-12-9(3)13(15)5-4-11(12)14(16)7-10/h4-5,10,15H,1,6-7H2,2-3H3/t10-/m0/s1
InChIKeyUZKOTPOLHDUORI-JTQLQIEISA-N
MW216.28 g/mol
LogP3.02
Rot. Bonds1

About (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one

(3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 5325815) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID5325815
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESC=C(C)[C@@H]1CC(=O)c2ccc(O)c(C)c2C1
InChIInChI=1S/C14H16O2/c1-8(2)10-6-12-9(3)13(15)5-4-11(12)14(16)7-10/h4-5,10,15H,1,6-7H2,2-3H3/t10-/m0/s1
InChIKeyUZKOTPOLHDUORI-JTQLQIEISA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one (CID 5325815) is (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one is C=C(C)[C@@H]1CC(=O)c2ccc(O)c(C)c2C1.
What is the InChIKey of (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UZKOTPOLHDUORI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16O2/c1-8(2)10-6-12-9(3)13(15)5-4-11(12)14(16)7-10/h4-5,10,15H,1,6-7H2,2-3H3/t10-/m0/s1.
What are the key properties of (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one?
(3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 216.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 5325815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).