[1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol

C24H32O4 — CID 162091921

IUPAC[1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
SMILESOCC1(CO)CCCc2ccccc21.OCC1CCc2ccccc2C1CO
InChIInChI=1S/2C12H16O2/c13-8-12(9-14)7-3-5-10-4-1-2-6-11(10)12;13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-2,4,6,13-14H,3,5,7-9H2;1-4,10,12-14H,5-8H2
InChIKeyZDSQICOIVQIYBI-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.56
Rot. Bonds4

About [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol

[1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol (PubChem CID 162091921) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
PubChem CID162091921
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name[1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
SMILESOCC1(CO)CCCc2ccccc21.OCC1CCc2ccccc2C1CO
InChIInChI=1S/2C12H16O2/c13-8-12(9-14)7-3-5-10-4-1-2-6-11(10)12;13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-2,4,6,13-14H,3,5,7-9H2;1-4,10,12-14H,5-8H2
InChIKeyZDSQICOIVQIYBI-UHFFFAOYSA-N
XLogP2.56
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
[(1S,2R)-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10776328
[1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058133
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
(1-cyclohexyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 82944714
[1-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058551
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
CID 63772638

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol (CID 162091921) is [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol is OCC1(CO)CCCc2ccccc21.OCC1CCc2ccccc2C1CO.
What is the InChIKey of [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The InChIKey is ZDSQICOIVQIYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16O2/c13-8-12(9-14)7-3-5-10-4-1-2-6-11(10)12;13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-2,4,6,13-14H,3,5,7-9H2;1-4,10,12-14H,5-8H2.
What are the key properties of [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
[1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol has a molecular weight of 384.52 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol;[1-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 162091921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).