1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol

C18H18O2 — CID 122382303

IUPAC1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol
SMILESCOc1ccc2cc(C#CC(O)C=C(C)C)ccc2c1
InChIInChI=1S/C18H18O2/c1-13(2)10-17(19)8-5-14-4-6-16-12-18(20-3)9-7-15(16)11-14/h4,6-7,9-12,17,19H,1-3H3
InChIKeyVCADHSUSAPHZQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.53
Rot. Bonds2

About 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol

1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol (PubChem CID 122382303) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol
PubChem CID122382303
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol
SMILESCOc1ccc2cc(C#CC(O)C=C(C)C)ccc2c1
InChIInChI=1S/C18H18O2/c1-13(2)10-17(19)8-5-14-4-6-16-12-18(20-3)9-7-15(16)11-14/h4,6-7,9-12,17,19H,1-3H3
InChIKeyVCADHSUSAPHZQS-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67563046
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
1-[5-methoxy-2-(2-phenylethynyl)phenyl]-3-methylbut-2-en-1-ol
CID 172557181
4-(6-methoxynaphthalen-2-yl)-2-phenylbut-3-yn-2-ol
CID 146003588
methyl 5-(6-methoxynaphthalen-2-yl)pent-4-ynoate
CID 102479006
2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
2-[2-(2-chlorophenyl)ethynyl]-6-methoxynaphthalene
CID 67211942
1-(3-chlorobut-1-ynyl)-4-methoxybenzene
CID 121218396
3-[2-(4-methoxyphenyl)ethynyl]phenol
CID 53439775
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol (CID 122382303) is 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol is COc1ccc2cc(C#CC(O)C=C(C)C)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol?
The InChIKey is VCADHSUSAPHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(2)10-17(19)8-5-14-4-6-16-12-18(20-3)9-7-15(16)11-14/h4,6-7,9-12,17,19H,1-3H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol?
1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol has a molecular weight of 266.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-5-methylhex-4-en-1-yn-3-ol is sourced from PubChem (CID 122382303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).