1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol

C11H14O2 — CID 11084449

IUPAC1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOCC1(O)CCCc2ccccc21
InChIInChI=1S/C11H14O2/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,12-13H,3,5,7-8H2
InChIKeyCHIGLGUJZNKGLN-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.20
Rot. Bonds1

About 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol

1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 11084449) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID11084449
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOCC1(O)CCCc2ccccc21
InChIInChI=1S/C11H14O2/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,12-13H,3,5,7-8H2
InChIKeyCHIGLGUJZNKGLN-UHFFFAOYSA-N
XLogP1.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 65147607
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 11084449) is 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol is OCC1(O)CCCc2ccccc21.
What is the InChIKey of 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is CHIGLGUJZNKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,12-13H,3,5,7-8H2.
What are the key properties of 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 11084449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).