1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol

C16H20O — CID 164700844

IUPAC1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC#CC1(O)CCCc2ccccc21
InChIInChI=1S/C16H20O/c1-2-3-4-7-12-16(17)13-8-10-14-9-5-6-11-15(14)16/h5-6,9,11,17H,2-4,8,10,13H2,1H3
InChIKeyOVSHRAONOSJXNH-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.40
Rot. Bonds2

About 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol

1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 164700844) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID164700844
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC#CC1(O)CCCc2ccccc21
InChIInChI=1S/C16H20O/c1-2-3-4-7-12-16(17)13-8-10-14-9-5-6-11-15(14)16/h5-6,9,11,17H,2-4,8,10,13H2,1H3
InChIKeyOVSHRAONOSJXNH-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.40
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

(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 164700841
1-[2-(1-hydroxycyclohexyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 102249674
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 102080429
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol (CID 164700844) is 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol is CCCCC#CC1(O)CCCc2ccccc21.
What is the InChIKey of 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is OVSHRAONOSJXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-4-7-12-16(17)13-8-10-14-9-5-6-11-15(14)16/h5-6,9,11,17H,2-4,8,10,13H2,1H3.
What are the key properties of 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol?
1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 228.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 164700844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).