[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol

C22H34O2 — CID 54444737

IUPAC[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol
SMILESCCCCCCCCCCC#C[C@@H](C)OCc1ccc(CO)cc1
InChIInChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)24-19-22-16-14-21(18-23)15-17-22/h14-17,20,23H,3-11,18-19H2,1-2H3/t20-/m1/s1
InChIKeyWQRVMXUZZHRBLL-HXUWFJFHSA-N
MW330.51 g/mol
LogP5.62
Rot. Bonds12

About [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol

[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol (PubChem CID 54444737) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol
PubChem CID54444737
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol
SMILESCCCCCCCCCCC#C[C@@H](C)OCc1ccc(CO)cc1
InChIInChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)24-19-22-16-14-21(18-23)15-17-22/h14-17,20,23H,3-11,18-19H2,1-2H3/t20-/m1/s1
InChIKeyWQRVMXUZZHRBLL-HXUWFJFHSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(hydroxymethyl)phenyl]methoxy]ethanol
CID 58225169
[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
CID 175428150
(3S,4S)-3-[(4-methoxyphenyl)methoxy]-2-methyldec-5-yn-4-ol
CID 101412125
2-methyldec-3-ynylbenzene
CID 102174838
(2S,3S,4S)-2-(dibenzylamino)-3,4-bis(phenylmethoxy)octadec-5-yn-1-ol
CID 11433854
ethyl (E,5R)-5-phenylmethoxyhexadec-2-en-6-ynoate
CID 101416121
(4-hex-1-ynylphenyl)methanol
CID 101212882
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane
CID 134884951
2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
CID 15003147
2-ethoxyhept-3-yne
CID 91390030

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol?
The IUPAC name of [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol (CID 54444737) is [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol?
The canonical SMILES for [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol is CCCCCCCCCCC#C[C@@H](C)OCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol?
The InChIKey is WQRVMXUZZHRBLL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-20(2)24-19-22-16-14-21(18-23)15-17-22/h14-17,20,23H,3-11,18-19H2,1-2H3/t20-/m1/s1.
What are the key properties of [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol?
[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol has a molecular weight of 330.51 g/mol, XLogP of 5.62, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol is sourced from PubChem (CID 54444737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).