(3R)-1-naphthalen-1-ylhex-4-yn-3-ol

C16H16O — CID 101340053

IUPAC(3R)-1-naphthalen-1-ylhex-4-yn-3-ol
SMILESCC#C[C@H](O)CCc1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-2-6-15(17)12-11-14-9-5-8-13-7-3-4-10-16(13)14/h3-5,7-10,15,17H,11-12H2,1H3/t15-/m0/s1
InChIKeyTZFGQSRSCLJSRU-HNNXBMFYSA-N
MW224.30 g/mol
LogP3.16
Rot. Bonds3

About (3R)-1-naphthalen-1-ylhex-4-yn-3-ol

(3R)-1-naphthalen-1-ylhex-4-yn-3-ol (PubChem CID 101340053) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (3R)-1-naphthalen-1-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name(3R)-1-naphthalen-1-ylhex-4-yn-3-ol
PubChem CID101340053
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(3R)-1-naphthalen-1-ylhex-4-yn-3-ol
SMILESCC#C[C@H](O)CCc1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-2-6-15(17)12-11-14-9-5-8-13-7-3-4-10-16(13)14/h3-5,7-10,15,17H,11-12H2,1H3/t15-/m0/s1
InChIKeyTZFGQSRSCLJSRU-HNNXBMFYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-ylpentan-3-ol
CID 2793924
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-(3-chloropentyl)naphthalene
CID 63460195
1-anthracen-9-yl-3-naphthalen-1-ylpropan-1-ol
CID 10498878
1-hexoxy-3-naphthalen-1-ylpropan-1-ol
CID 54384522
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
ethane;2-naphthalen-1-ylethanol
CID 145119048
1-(3-chlorohexyl)naphthalene
CID 63461105
1-butylnaphthalene;ethane
CID 142087052
1-tetradecylnaphthalene
CID 14402128

Frequently Asked Questions

What is the IUPAC name of (3R)-1-naphthalen-1-ylhex-4-yn-3-ol?
The IUPAC name of (3R)-1-naphthalen-1-ylhex-4-yn-3-ol (CID 101340053) is (3R)-1-naphthalen-1-ylhex-4-yn-3-ol.
What is the SMILES notation for (3R)-1-naphthalen-1-ylhex-4-yn-3-ol?
The canonical SMILES for (3R)-1-naphthalen-1-ylhex-4-yn-3-ol is CC#C[C@H](O)CCc1cccc2ccccc12.
What is the InChIKey of (3R)-1-naphthalen-1-ylhex-4-yn-3-ol?
The InChIKey is TZFGQSRSCLJSRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-6-15(17)12-11-14-9-5-8-13-7-3-4-10-16(13)14/h3-5,7-10,15,17H,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (3R)-1-naphthalen-1-ylhex-4-yn-3-ol?
(3R)-1-naphthalen-1-ylhex-4-yn-3-ol has a molecular weight of 224.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-naphthalen-1-ylhex-4-yn-3-ol is sourced from PubChem (CID 101340053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).