7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol

C16H20O2 — CID 113374244

IUPAC7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESC#CCCCC1(O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H20O2/c1-3-4-5-9-16(17)10-8-13-6-7-15(18-2)11-14(13)12-16/h1,6-7,11,17H,4-5,8-10,12H2,2H3
InChIKeyAENFFHSNJAGAOJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.72
Rot. Bonds4

About 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol

7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 113374244) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID113374244
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESC#CCCCC1(O)CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H20O2/c1-3-4-5-9-16(17)10-8-13-6-7-15(18-2)11-14(13)12-16/h1,6-7,11,17H,4-5,8-10,12H2,2H3
InChIKeyAENFFHSNJAGAOJ-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510908
2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510921
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511023
2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510925
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol (CID 113374244) is 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol is C#CCCCC1(O)CCc2ccc(OC)cc2C1.
What is the InChIKey of 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is AENFFHSNJAGAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-4-5-9-16(17)10-8-13-6-7-15(18-2)11-14(13)12-16/h1,6-7,11,17H,4-5,8-10,12H2,2H3.
What are the key properties of 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol?
7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 244.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 113374244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).