(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol

C15H16O — CID 101135942

IUPAC(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol
SMILESC#CCCC[C@H]1C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C15H16O/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16/h1,5-7,9-11,13,15-16H,3-4,8H2/t13-,15-/m0/s1
InChIKeySUVBVOUVPQYDNE-ZFWWWQNUSA-N
MW212.29 g/mol
LogP3.17
Rot. Bonds3

About (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol

(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol (PubChem CID 101135942) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol
PubChem CID101135942
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol
SMILESC#CCCC[C@H]1C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C15H16O/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16/h1,5-7,9-11,13,15-16H,3-4,8H2/t13-,15-/m0/s1
InChIKeySUVBVOUVPQYDNE-ZFWWWQNUSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
CID 18927453
N-prop-2-ynyl-1H-inden-1-amine
CID 20977367
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
CID 59397611
(1R,2R)-2-amino-1,2-dihydronaphthalen-1-ol;hydrochloride
CID 71310849
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
hydron;1H-inden-1-ol
CID 174812636
1-(2-cyclopenta-1,3-dien-1-ylhept-6-yn-2-yl)-1H-indene
CID 18927480
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 131848736
2-(1H-inden-1-yl)ethanol
CID 23288751
(1R,2R)-2-prop-2-enoxy-1,2-dihydronaphthalen-1-ol
CID 11195024

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol (CID 101135942) is (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol is C#CCCC[C@H]1C=Cc2ccccc2[C@H]1O.
What is the InChIKey of (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is SUVBVOUVPQYDNE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H16O/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16/h1,5-7,9-11,13,15-16H,3-4,8H2/t13-,15-/m0/s1.
What are the key properties of (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol?
(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 101135942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).