(4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one

C14H18O2 — CID 162991562

IUPAC(4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one
SMILESCc1ccc2c(c1)[C@@](O)(C(C)C)CCC2=O
InChIInChI=1S/C14H18O2/c1-9(2)14(16)7-6-13(15)11-5-4-10(3)8-12(11)14/h4-5,8-9,16H,6-7H2,1-3H3/t14-/m0/s1
InChIKeyMTSNNQKEEOCXOZ-AWEZNQCLSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds1

About (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one

(4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one (PubChem CID 162991562) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one
PubChem CID162991562
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one
SMILESCc1ccc2c(c1)[C@@](O)(C(C)C)CCC2=O
InChIInChI=1S/C14H18O2/c1-9(2)14(16)7-6-13(15)11-5-4-10(3)8-12(11)14/h4-5,8-9,16H,6-7H2,1-3H3/t14-/m0/s1
InChIKeyMTSNNQKEEOCXOZ-AWEZNQCLSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one?
The IUPAC name of (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one (CID 162991562) is (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one is Cc1ccc2c(c1)[C@@](O)(C(C)C)CCC2=O.
What is the InChIKey of (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one?
The InChIKey is MTSNNQKEEOCXOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O2/c1-9(2)14(16)7-6-13(15)11-5-4-10(3)8-12(11)14/h4-5,8-9,16H,6-7H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one?
(4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-6-methyl-4-propan-2-yl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 162991562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).