(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol

C17H18O — CID 178185600

IUPAC(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
SMILESC#CC[C@@](C)(O)[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O/c1-4-11-17(3,18)13(2)15-10-9-14-7-5-6-8-16(14)12-15/h1,5-10,12-13,18H,11H2,2-3H3/t13-,17-/m1/s1
InChIKeyBJSQPBSIKZPWSC-CXAGYDPISA-N
MW238.33 g/mol
LogP3.72
Rot. Bonds3

About (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol

(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol (PubChem CID 178185600) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
PubChem CID178185600
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
SMILESC#CC[C@@](C)(O)[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O/c1-4-11-17(3,18)13(2)15-10-9-14-7-5-6-8-16(14)12-15/h1,5-10,12-13,18H,11H2,2-3H3/t13-,17-/m1/s1
InChIKeyBJSQPBSIKZPWSC-CXAGYDPISA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.72
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

2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
CID 79263498
ethane;2-propan-2-ylnaphthalene
CID 142226111
methyl 2-hydroxy-3-methyl-2-(1-naphthalen-2-ylethyl)butanoate
CID 79304282
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
(2S,3R)-2-hydroxy-3-naphthalen-2-ylbutanenitrile
CID 100997633
2-propan-2-ylpentacene
CID 153380535
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 97256745
3-naphthalen-2-ylbutan-2-amine
CID 66436107
trimethyl-[(1S)-1-naphthalen-2-ylethyl]azanium
CID 71541621
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol?
The IUPAC name of (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol (CID 178185600) is (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol.
What is the SMILES notation for (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol?
The canonical SMILES for (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol is C#CC[C@@](C)(O)[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol?
The InChIKey is BJSQPBSIKZPWSC-CXAGYDPISA-N. The full InChI is InChI=1S/C17H18O/c1-4-11-17(3,18)13(2)15-10-9-14-7-5-6-8-16(14)12-15/h1,5-10,12-13,18H,11H2,2-3H3/t13-,17-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol?
(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol has a molecular weight of 238.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol is sourced from PubChem (CID 178185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).