2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol

C14H20O — CID 57386974

IUPAC2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol
SMILESCc1ccc2c(c1)[C@@H](CCO)CC[C@@H]2C
InChIInChI=1S/C14H20O/c1-10-3-6-13-11(2)4-5-12(7-8-15)14(13)9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyDSOPNISKEHFTBP-NWDGAFQWSA-N
MW204.31 g/mol
LogP3.36
Rot. Bonds2

About 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol

2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol (PubChem CID 57386974) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol
PubChem CID57386974
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol
SMILESCc1ccc2c(c1)[C@@H](CCO)CC[C@@H]2C
InChIInChI=1S/C14H20O/c1-10-3-6-13-11(2)4-5-12(7-8-15)14(13)9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3/t11-,12+/m0/s1
InChIKeyDSOPNISKEHFTBP-NWDGAFQWSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155465000
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 6429077
2-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanol
CID 90443762
2-(6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82077013
(1S,4S)-4-[(2S)-1-iodopropan-2-yl]-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 24806500
3,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 23008934
(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 143829335
[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol
CID 3498568
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
CID 105429222
4-methyl-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418179

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol?
The IUPAC name of 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol (CID 57386974) is 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol.
What is the SMILES notation for 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol?
The canonical SMILES for 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol is Cc1ccc2c(c1)[C@@H](CCO)CC[C@@H]2C.
What is the InChIKey of 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol?
The InChIKey is DSOPNISKEHFTBP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20O/c1-10-3-6-13-11(2)4-5-12(7-8-15)14(13)9-10/h3,6,9,11-12,15H,4-5,7-8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol?
2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol has a molecular weight of 204.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol is sourced from PubChem (CID 57386974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).