1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol

C12H16O2 — CID 105446199

IUPAC1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1cccc2c1CCCC2(O)CO
InChIInChI=1S/C12H16O2/c1-9-4-2-6-11-10(9)5-3-7-12(11,14)8-13/h2,4,6,13-14H,3,5,7-8H2,1H3
InChIKeyMERPGWKBLMWNDG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.51
Rot. Bonds1

About 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol

1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 105446199) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID105446199
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCc1cccc2c1CCCC2(O)CO
InChIInChI=1S/C12H16O2/c1-9-4-2-6-11-10(9)5-3-7-12(11,14)8-13/h2,4,6,13-14H,3,5,7-8H2,1H3
InChIKeyMERPGWKBLMWNDG-UHFFFAOYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
(1-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 105459158
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
5-fluoro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105464045
4-fluoro-8-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 84736314
(6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
CID 11056055
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618324
1-hydroxy-5-methyl-1-(trifluoromethyl)-3,4-dihydronaphthalen-2-one
CID 15568759
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115020894
[1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058133

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 105446199) is 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol is Cc1cccc2c1CCCC2(O)CO.
What is the InChIKey of 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is MERPGWKBLMWNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-4-2-6-11-10(9)5-3-7-12(11,14)8-13/h2,4,6,13-14H,3,5,7-8H2,1H3.
What are the key properties of 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol?
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 105446199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).