(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol

C15H16O2 — CID 53305482

IUPAC(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
SMILESOC/C=C\COCc1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c16-9-3-4-10-17-12-13-7-8-14-5-1-2-6-15(14)11-13/h1-8,11,16H,9-10,12H2/b4-3-
InChIKeyMSCNPEREVLIOFV-ARJAWSKDSA-N
MW228.29 g/mol
LogP2.90
Rot. Bonds5

About (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol

(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol (PubChem CID 53305482) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
PubChem CID53305482
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
SMILESOC/C=C\COCc1ccc2ccccc2c1
InChIInChI=1S/C15H16O2/c16-9-3-4-10-17-12-13-7-8-14-5-1-2-6-15(14)11-13/h1-8,11,16H,9-10,12H2/b4-3-
InChIKeyMSCNPEREVLIOFV-ARJAWSKDSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)naphthalene
CID 11063138
ethane;(E)-4-[(4-fluoro-3-methylphenyl)methoxy]but-2-en-1-ol
CID 143743964
(Z)-4-phenylmethoxybut-2-enal;(Z)-4-phenylmethoxybut-2-en-1-ol
CID 165000791
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
CID 88891115
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
2-(octoxymethyl)naphthalene
CID 101192870
N-methyl-2-(naphthalen-2-ylmethoxy)acetohydrazide
CID 116845423
2-(naphthalen-2-ylmethoxy)ethyl carbamimidate
CID 163811315
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol?
The IUPAC name of (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol (CID 53305482) is (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol is OC/C=C\COCc1ccc2ccccc2c1.
What is the InChIKey of (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol?
The InChIKey is MSCNPEREVLIOFV-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H16O2/c16-9-3-4-10-17-12-13-7-8-14-5-1-2-6-15(14)11-13/h1-8,11,16H,9-10,12H2/b4-3-.
What are the key properties of (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol?
(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol has a molecular weight of 228.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol is sourced from PubChem (CID 53305482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).