(2-hept-6-enoxyphenyl)methanol

C14H20O2 — CID 107007457

IUPAC(2-hept-6-enoxyphenyl)methanol
SMILESC=CCCCCCOc1ccccc1CO
InChIInChI=1S/C14H20O2/c1-2-3-4-5-8-11-16-14-10-7-6-9-13(14)12-15/h2,6-7,9-10,15H,1,3-5,8,11-12H2
InChIKeyXEEKIQGULFTFGW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.30
Rot. Bonds8

About (2-hept-6-enoxyphenyl)methanol

(2-hept-6-enoxyphenyl)methanol (PubChem CID 107007457) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2-hept-6-enoxyphenyl)methanol.

Molecular Properties

Compound Name(2-hept-6-enoxyphenyl)methanol
PubChem CID107007457
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2-hept-6-enoxyphenyl)methanol
SMILESC=CCCCCCOc1ccccc1CO
InChIInChI=1S/C14H20O2/c1-2-3-4-5-8-11-16-14-10-7-6-9-13(14)12-15/h2,6-7,9-10,15H,1,3-5,8,11-12H2
InChIKeyXEEKIQGULFTFGW-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.30
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

1-ethyl-2-hept-6-enoxybenzene
CID 107010566
(2-prop-2-enoxyphenyl)methanol
CID 11137475
(2-octoxyphenyl)methanol
CID 43128604
1-butoxy-2-non-8-enylbenzene
CID 18786588
(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
2-dec-9-enoxybenzoate
CID 22354189
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
[2,6-bis(hex-5-enoxy)phenyl]boronic acid
CID 10860096
dec-9-enoxymethylbenzene
CID 91868068
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
(2-chloro-6-pent-4-enoxyphenyl)methanol
CID 114320409

Frequently Asked Questions

What is the IUPAC name of (2-hept-6-enoxyphenyl)methanol?
The IUPAC name of (2-hept-6-enoxyphenyl)methanol (CID 107007457) is (2-hept-6-enoxyphenyl)methanol.
What is the SMILES notation for (2-hept-6-enoxyphenyl)methanol?
The canonical SMILES for (2-hept-6-enoxyphenyl)methanol is C=CCCCCCOc1ccccc1CO.
What is the InChIKey of (2-hept-6-enoxyphenyl)methanol?
The InChIKey is XEEKIQGULFTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-8-11-16-14-10-7-6-9-13(14)12-15/h2,6-7,9-10,15H,1,3-5,8,11-12H2.
What are the key properties of (2-hept-6-enoxyphenyl)methanol?
(2-hept-6-enoxyphenyl)methanol has a molecular weight of 220.31 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hept-6-enoxyphenyl)methanol is sourced from PubChem (CID 107007457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).