(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C19H22O2 — CID 118531309

IUPAC(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccc(C[C@@H]2CCCc3cc(C)c(O)cc32)cc1O
InChIInChI=1S/C19H22O2/c1-12-6-7-14(10-18(12)20)9-16-5-3-4-15-8-13(2)19(21)11-17(15)16/h6-8,10-11,16,20-21H,3-5,9H2,1-2H3/t16-/m0/s1
InChIKeyGPMZPPOITKRKCM-INIZCTEOSA-N
MW282.38 g/mol
LogP4.38
Rot. Bonds2

About (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 118531309) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID118531309
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1ccc(C[C@@H]2CCCc3cc(C)c(O)cc32)cc1O
InChIInChI=1S/C19H22O2/c1-12-6-7-14(10-18(12)20)9-16-5-3-4-15-8-13(2)19(21)11-17(15)16/h6-8,10-11,16,20-21H,3-5,9H2,1-2H3/t16-/m0/s1
InChIKeyGPMZPPOITKRKCM-INIZCTEOSA-N
XLogP4.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 118531309) is (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1ccc(C[C@@H]2CCCc3cc(C)c(O)cc32)cc1O.
What is the InChIKey of (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GPMZPPOITKRKCM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22O2/c1-12-6-7-14(10-18(12)20)9-16-5-3-4-15-8-13(2)19(21)11-17(15)16/h6-8,10-11,16,20-21H,3-5,9H2,1-2H3/t16-/m0/s1.
What are the key properties of (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 282.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[(3-hydroxy-4-methylphenyl)methyl]-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 118531309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).