1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol

C16H28O3 — CID 75528924

IUPAC1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
SMILESCOC1C=C(C)C(O)(CO)C2(C)CCCC(C)(C)C12
InChIInChI=1S/C16H28O3/c1-11-9-12(19-5)13-14(2,3)7-6-8-15(13,4)16(11,18)10-17/h9,12-13,17-18H,6-8,10H2,1-5H3
InChIKeyAZUJYVZGKJZCIK-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.52
Rot. Bonds2

About 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol

1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol (PubChem CID 75528924) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
PubChem CID75528924
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
SMILESCOC1C=C(C)C(O)(CO)C2(C)CCCC(C)(C)C12
InChIInChI=1S/C16H28O3/c1-11-9-12(19-5)13-14(2,3)7-6-8-15(13,4)16(11,18)10-17/h9,12-13,17-18H,6-8,10H2,1-5H3
InChIKeyAZUJYVZGKJZCIK-UHFFFAOYSA-N
XLogP2.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
The IUPAC name of 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol (CID 75528924) is 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol is COC1C=C(C)C(O)(CO)C2(C)CCCC(C)(C)C12.
What is the InChIKey of 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
The InChIKey is AZUJYVZGKJZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-11-9-12(19-5)13-14(2,3)7-6-8-15(13,4)16(11,18)10-17/h9,12-13,17-18H,6-8,10H2,1-5H3.
What are the key properties of 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol has a molecular weight of 268.40 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol is sourced from PubChem (CID 75528924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).