(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

C15H22O2 — CID 14287062

IUPAC(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1O)[C@H](CO)CC[C@H]2C(C)C
InChIInChI=1S/C15H22O2/c1-9(2)12-5-4-11(8-16)13-7-15(17)10(3)6-14(12)13/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t11-,12-/m0/s1
InChIKeyDXCLZSITICUANS-RYUDHWBXSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds2

About (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 14287062) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID14287062
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc2c(cc1O)[C@H](CO)CC[C@H]2C(C)C
InChIInChI=1S/C15H22O2/c1-9(2)12-5-4-11(8-16)13-7-15(17)10(3)6-14(12)13/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t11-,12-/m0/s1
InChIKeyDXCLZSITICUANS-RYUDHWBXSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 14287062) is (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cc2c(cc1O)[C@H](CO)CC[C@H]2C(C)C.
What is the InChIKey of (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is DXCLZSITICUANS-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)12-5-4-11(8-16)13-7-15(17)10(3)6-14(12)13/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 14287062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).