6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol

C15H16O2 — CID 118097697

IUPAC6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol
SMILESC=CC(=C)OCc1ccc2c(c1)CC=C(O)C2
InChIInChI=1S/C15H16O2/c1-3-11(2)17-10-12-4-5-14-9-15(16)7-6-13(14)8-12/h3-5,7-8,16H,1-2,6,9-10H2
InChIKeyPYQZVAZPQWCPCT-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.44
Rot. Bonds4

About 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol

6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol (PubChem CID 118097697) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol
PubChem CID118097697
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol
SMILESC=CC(=C)OCc1ccc2c(c1)CC=C(O)C2
InChIInChI=1S/C15H16O2/c1-3-11(2)17-10-12-4-5-14-9-15(16)7-6-13(14)8-12/h3-5,7-8,16H,1-2,6,9-10H2
InChIKeyPYQZVAZPQWCPCT-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(buta-1,3-dien-2-yloxymethyl)-4-ethynylbenzene;ethane
CID 143570593
1-(buta-1,3-dien-2-yloxymethyl)-3-methylsulfonylbenzene
CID 123543652
2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
CID 123669497
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
prop-2-enyl 2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetate
CID 67854972
N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine
CID 143932431
CID 159481428
CID 159481428
anthracen-2-ylmethyl prop-2-enoate
CID 163424587
bis[[4-(3-methylidenepent-4-enyl)phenyl]methyl] propanedioate
CID 71350544
2-[[(2R)-but-3-en-2-yl]oxymethyl]-9H-fluorene
CID 163626490
2-benzofuran-5-ylmethyl prop-2-enoate
CID 174509033
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345

Frequently Asked Questions

What is the IUPAC name of 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol?
The IUPAC name of 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol (CID 118097697) is 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol?
The canonical SMILES for 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol is C=CC(=C)OCc1ccc2c(c1)CC=C(O)C2.
What is the InChIKey of 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol?
The InChIKey is PYQZVAZPQWCPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-11(2)17-10-12-4-5-14-9-15(16)7-6-13(14)8-12/h3-5,7-8,16H,1-2,6,9-10H2.
What are the key properties of 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol?
6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol has a molecular weight of 228.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(buta-1,3-dien-2-yloxymethyl)-1,4-dihydronaphthalen-2-ol is sourced from PubChem (CID 118097697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).