(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol

C12H16O2 — CID 18727347

IUPAC(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol
SMILESCC1c2ccccc2CCC1C(O)O
InChIInChI=1S/C12H16O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-5,8,11-14H,6-7H2,1H3
InChIKeyROSQSRYBZDWVET-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.66
Rot. Bonds1

About (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol

(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol (PubChem CID 18727347) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol.

Molecular Properties

Compound Name(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol
PubChem CID18727347
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol
SMILESCC1c2ccccc2CCC1C(O)O
InChIInChI=1S/C12H16O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-5,8,11-14H,6-7H2,1H3
InChIKeyROSQSRYBZDWVET-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102396750
[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537752
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
CID 163961847
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593

Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol?
The IUPAC name of (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol (CID 18727347) is (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol.
What is the SMILES notation for (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol?
The canonical SMILES for (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol is CC1c2ccccc2CCC1C(O)O.
What is the InChIKey of (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol?
The InChIKey is ROSQSRYBZDWVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-5,8,11-14H,6-7H2,1H3.
What are the key properties of (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol?
(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol has a molecular weight of 192.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol is sourced from PubChem (CID 18727347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).