2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol

C15H22O — CID 15601433

IUPAC2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
SMILESCc1ccc2c(c1C)C[C@H](C(C)(C)O)CC2
InChIInChI=1S/C15H22O/c1-10-5-6-12-7-8-13(15(3,4)16)9-14(12)11(10)2/h5-6,13,16H,7-9H2,1-4H3/t13-/m1/s1
InChIKeyMXWNBEGGJOONGS-CYBMUJFWSA-N
MW218.34 g/mol
LogP3.18
Rot. Bonds1

About 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol

2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol (PubChem CID 15601433) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
PubChem CID15601433
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
SMILESCc1ccc2c(c1C)C[C@H](C(C)(C)O)CC2
InChIInChI=1S/C15H22O/c1-10-5-6-12-7-8-13(15(3,4)16)9-14(12)11(10)2/h5-6,13,16H,7-9H2,1-4H3/t13-/m1/s1
InChIKeyMXWNBEGGJOONGS-CYBMUJFWSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol (CID 15601433) is 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol is Cc1ccc2c(c1C)C[C@H](C(C)(C)O)CC2.
What is the InChIKey of 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol?
The InChIKey is MXWNBEGGJOONGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22O/c1-10-5-6-12-7-8-13(15(3,4)16)9-14(12)11(10)2/h5-6,13,16H,7-9H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol?
2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol is sourced from PubChem (CID 15601433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).