(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one

C16H18O2 — CID 14387515

IUPAC(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
SMILESCCC(=O)[C@H](C)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-3-15(17)11(2)16(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16,18H,3H2,1-2H3/t11-,16+/m0/s1
InChIKeyRTCIAGJWWACQEJ-MEDUHNTESA-N
MW242.32 g/mol
LogP3.49
Rot. Bonds4

About (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one

(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one (PubChem CID 14387515) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one.

Molecular Properties

Compound Name(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
PubChem CID14387515
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
SMILESCCC(=O)[C@H](C)[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H18O2/c1-3-15(17)11(2)16(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16,18H,3H2,1-2H3/t11-,16+/m0/s1
InChIKeyRTCIAGJWWACQEJ-MEDUHNTESA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1,3,4-trihydroxy-4-naphthalen-1-ylbutan-2-one
CID 102281218
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
1,3-dinaphthalen-1-ylhexane-1,2,4-trione
CID 140639979
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one?
The IUPAC name of (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one (CID 14387515) is (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one.
What is the SMILES notation for (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one?
The canonical SMILES for (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one is CCC(=O)[C@H](C)[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one?
The InChIKey is RTCIAGJWWACQEJ-MEDUHNTESA-N. The full InChI is InChI=1S/C16H18O2/c1-3-15(17)11(2)16(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-11,16,18H,3H2,1-2H3/t11-,16+/m0/s1.
What are the key properties of (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one?
(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one has a molecular weight of 242.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one is sourced from PubChem (CID 14387515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).