(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol

C17H18O2 — CID 909128

IUPAC(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
SMILESCC(C)(O)C#C[C@](C)(O)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c1-16(2,18)11-12-17(3,19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,18-19H,1-3H3/t17-/m0/s1
InChIKeyALIAEDIPYGMBLW-KRWDZBQOSA-N
MW254.33 g/mol
LogP2.82
Rot. Bonds1

About (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol

(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol (PubChem CID 909128) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol.

Molecular Properties

Compound Name(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
PubChem CID909128
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
SMILESCC(C)(O)C#C[C@](C)(O)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c1-16(2,18)11-12-17(3,19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,18-19H,1-3H3/t17-/m0/s1
InChIKeyALIAEDIPYGMBLW-KRWDZBQOSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 3762729
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
4-naphthalen-1-ylheptan-4-ol
CID 114866255
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774382
1-(4-chlorophenyl)-1-naphthalen-1-ylethanol
CID 62787612
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol?
The IUPAC name of (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol (CID 909128) is (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol.
What is the SMILES notation for (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol?
The canonical SMILES for (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol is CC(C)(O)C#C[C@](C)(O)c1cccc2ccccc12.
What is the InChIKey of (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol?
The InChIKey is ALIAEDIPYGMBLW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18O2/c1-16(2,18)11-12-17(3,19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,18-19H,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol?
(5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol has a molecular weight of 254.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol is sourced from PubChem (CID 909128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).