(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene

C12H16O — CID 67639312

IUPAC(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1C[C@@H](C)CC2
InChIInChI=1S/C12H16O/c1-9-6-7-10-4-3-5-12(13-2)11(10)8-9/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1
InChIKeyMSYQJKLOSYUPIE-VIFPVBQESA-N
MW176.26 g/mol
LogP2.82
Rot. Bonds1

About (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene

(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 67639312) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID67639312
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1C[C@@H](C)CC2
InChIInChI=1S/C12H16O/c1-9-6-7-10-4-3-5-12(13-2)11(10)8-9/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1
InChIKeyMSYQJKLOSYUPIE-VIFPVBQESA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;(2R)-1-fluorobutan-2-ol;(2S)-5-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 143917260
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142027727
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
8-methoxy-N,N-bis(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18331804

Frequently Asked Questions

What is the IUPAC name of (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 67639312) is (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene is COc1cccc2c1C[C@@H](C)CC2.
What is the InChIKey of (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MSYQJKLOSYUPIE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O/c1-9-6-7-10-4-3-5-12(13-2)11(10)8-9/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene?
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 176.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 67639312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).