[4-(2-prop-2-ynoxyethoxy)phenyl]methanol

C12H14O3 — CID 155391194

IUPAC[4-(2-prop-2-ynoxyethoxy)phenyl]methanol
SMILESC#CCOCCOc1ccc(CO)cc1
InChIInChI=1S/C12H14O3/c1-2-7-14-8-9-15-12-5-3-11(10-13)4-6-12/h1,3-6,13H,7-10H2
InChIKeyXCPRLIPMTRFBRV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.21
Rot. Bonds6

About [4-(2-prop-2-ynoxyethoxy)phenyl]methanol

[4-(2-prop-2-ynoxyethoxy)phenyl]methanol (PubChem CID 155391194) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [4-(2-prop-2-ynoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-prop-2-ynoxyethoxy)phenyl]methanol
PubChem CID155391194
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[4-(2-prop-2-ynoxyethoxy)phenyl]methanol
SMILESC#CCOCCOc1ccc(CO)cc1
InChIInChI=1S/C12H14O3/c1-2-7-14-8-9-15-12-5-3-11(10-13)4-6-12/h1,3-6,13H,7-10H2
InChIKeyXCPRLIPMTRFBRV-UHFFFAOYSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[4-[2-(2-prop-2-ynoxyethoxy)ethoxy]phenyl]ethanol
CID 166304036
1,4-bis[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 53342216
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
1-nitro-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 171646680
2-methyl-3-[4-[2-[4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]propan-1-ol
CID 161230478
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
CID 171661609
1-[4-(2-prop-2-ynoxyethoxy)benzoyl]azetidin-2-one
CID 58559487
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-methoxy-4-[4-(6-prop-2-ynoxyhexoxy)phenyl]benzene
CID 100928934

Frequently Asked Questions

What is the IUPAC name of [4-(2-prop-2-ynoxyethoxy)phenyl]methanol?
The IUPAC name of [4-(2-prop-2-ynoxyethoxy)phenyl]methanol (CID 155391194) is [4-(2-prop-2-ynoxyethoxy)phenyl]methanol.
What is the SMILES notation for [4-(2-prop-2-ynoxyethoxy)phenyl]methanol?
The canonical SMILES for [4-(2-prop-2-ynoxyethoxy)phenyl]methanol is C#CCOCCOc1ccc(CO)cc1.
What is the InChIKey of [4-(2-prop-2-ynoxyethoxy)phenyl]methanol?
The InChIKey is XCPRLIPMTRFBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-7-14-8-9-15-12-5-3-11(10-13)4-6-12/h1,3-6,13H,7-10H2.
What are the key properties of [4-(2-prop-2-ynoxyethoxy)phenyl]methanol?
[4-(2-prop-2-ynoxyethoxy)phenyl]methanol has a molecular weight of 206.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-prop-2-ynoxyethoxy)phenyl]methanol is sourced from PubChem (CID 155391194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).