(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol

C12H16O2 — CID 165343412

IUPAC(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol
SMILESC[C@]12C=CC=C(CO)[C@H]1CC=C[C@H]2O
InChIInChI=1S/C12H16O2/c1-12-7-3-4-9(8-13)10(12)5-2-6-11(12)14/h2-4,6-7,10-11,13-14H,5,8H2,1H3/t10-,11-,12+/m1/s1
InChIKeyMBENFFPPUABZDC-UTUOFQBUSA-N
MW192.26 g/mol
LogP1.42
Rot. Bonds1

About (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol

(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol (PubChem CID 165343412) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol
PubChem CID165343412
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol
SMILESC[C@]12C=CC=C(CO)[C@H]1CC=C[C@H]2O
InChIInChI=1S/C12H16O2/c1-12-7-3-4-9(8-13)10(12)5-2-6-11(12)14/h2-4,6-7,10-11,13-14H,5,8H2,1H3/t10-,11-,12+/m1/s1
InChIKeyMBENFFPPUABZDC-UTUOFQBUSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol?
The IUPAC name of (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol (CID 165343412) is (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol is C[C@]12C=CC=C(CO)[C@H]1CC=C[C@H]2O.
What is the InChIKey of (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol?
The InChIKey is MBENFFPPUABZDC-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H16O2/c1-12-7-3-4-9(8-13)10(12)5-2-6-11(12)14/h2-4,6-7,10-11,13-14H,5,8H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol?
(1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,8aS)-5-(hydroxymethyl)-8a-methyl-4,4a-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 165343412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).