phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol

C19H18O2 — CID 165350820

IUPACphenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol
SMILESC=CCOCC#Cc1ccccc1C(O)c1ccccc1
InChIInChI=1S/C19H18O2/c1-2-14-21-15-8-12-16-9-6-7-13-18(16)19(20)17-10-4-3-5-11-17/h2-7,9-11,13,19-20H,1,14-15H2
InChIKeyIXZMBZBORHLTFK-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.32
Rot. Bonds5

About phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol

phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol (PubChem CID 165350820) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol.

Molecular Properties

Compound Namephenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol
PubChem CID165350820
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Namephenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol
SMILESC=CCOCC#Cc1ccccc1C(O)c1ccccc1
InChIInChI=1S/C19H18O2/c1-2-14-21-15-8-12-16-9-6-7-13-18(16)19(20)17-10-4-3-5-11-17/h2-7,9-11,13,19-20H,1,14-15H2
InChIKeyIXZMBZBORHLTFK-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.32
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-phenylmethoxyprop-1-ynyl)phenyl]but-3-yn-1-ol
CID 25257990
1-[2-(3-phenylprop-1-ynyl)phenyl]prop-2-en-1-ol
CID 11391000
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
4-methoxy-N-[1-[2-(3-phenylmethoxyprop-1-ynyl)phenyl]but-3-enyl]aniline
CID 16723381
(2-phenylphenyl)-pyridin-3-ylmethanol;3-prop-2-enoxyprop-1-ene
CID 70532937
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
naphthalen-1-yl(pyridin-3-yl)methanol;3-prop-2-enoxyprop-1-ene
CID 70482779
2,3,4-trimethoxy-1-(3-phenylpropyl)-5-(3-prop-2-enoxyprop-1-ynyl)benzene
CID 54451740
1-[2-(3-methoxyprop-1-ynyl)phenyl]but-3-yn-1-ol
CID 25257989
[2-[2-[hydroxy(phenyl)methyl]-N-[2-[hydroxy(phenyl)methyl]phenyl]anilino]phenyl]-phenylmethanol
CID 132774417
8-phenylmethoxyoct-1-en-6-yne-3,5-diol
CID 10514573

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol?
The IUPAC name of phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol (CID 165350820) is phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol.
What is the SMILES notation for phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol?
The canonical SMILES for phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol is C=CCOCC#Cc1ccccc1C(O)c1ccccc1.
What is the InChIKey of phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol?
The InChIKey is IXZMBZBORHLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-14-21-15-8-12-16-9-6-7-13-18(16)19(20)17-10-4-3-5-11-17/h2-7,9-11,13,19-20H,1,14-15H2.
What are the key properties of phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol?
phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol has a molecular weight of 278.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(3-prop-2-enoxyprop-1-ynyl)phenyl]methanol is sourced from PubChem (CID 165350820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).