(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one

C15H18O2 — CID 101129355

IUPAC(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one
SMILESCc1ccc2c(c1)C(=O)C(C(C)C)=C[C@@]2(C)O
InChIInChI=1S/C15H18O2/c1-9(2)12-8-15(4,17)13-6-5-10(3)7-11(13)14(12)16/h5-9,17H,1-4H3/t15-/m1/s1
InChIKeyCNZCFICJJNMIPR-OAHLLOKOSA-N
MW230.31 g/mol
LogP2.98
Rot. Bonds1

About (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one

(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one (PubChem CID 101129355) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one
PubChem CID101129355
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one
SMILESCc1ccc2c(c1)C(=O)C(C(C)C)=C[C@@]2(C)O
InChIInChI=1S/C15H18O2/c1-9(2)12-8-15(4,17)13-6-5-10(3)7-11(13)14(12)16/h5-9,17H,1-4H3/t15-/m1/s1
InChIKeyCNZCFICJJNMIPR-OAHLLOKOSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one?
The IUPAC name of (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one (CID 101129355) is (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one.
What is the SMILES notation for (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one?
The canonical SMILES for (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one is Cc1ccc2c(c1)C(=O)C(C(C)C)=C[C@@]2(C)O.
What is the InChIKey of (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one?
The InChIKey is CNZCFICJJNMIPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O2/c1-9(2)12-8-15(4,17)13-6-5-10(3)7-11(13)14(12)16/h5-9,17H,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one?
(4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4,7-dimethyl-2-propan-2-ylnaphthalen-1-one is sourced from PubChem (CID 101129355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).