(3R)-3-phenylmethoxyhept-6-en-1-ol

C14H20O2 — CID 70676356

IUPAC(3R)-3-phenylmethoxyhept-6-en-1-ol
SMILESC=CCC[C@H](CCO)OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-9-14(10-11-15)16-12-13-7-5-4-6-8-13/h2,4-8,14-15H,1,3,9-12H2/t14-/m1/s1
InChIKeyDFPIBMCHPZDWSJ-CQSZACIVSA-N
MW220.31 g/mol
LogP2.92
Rot. Bonds8

About (3R)-3-phenylmethoxyhept-6-en-1-ol

(3R)-3-phenylmethoxyhept-6-en-1-ol (PubChem CID 70676356) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3R)-3-phenylmethoxyhept-6-en-1-ol.

Molecular Properties

Compound Name(3R)-3-phenylmethoxyhept-6-en-1-ol
PubChem CID70676356
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3R)-3-phenylmethoxyhept-6-en-1-ol
SMILESC=CCC[C@H](CCO)OCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-9-14(10-11-15)16-12-13-7-5-4-6-8-13/h2,4-8,14-15H,1,3,9-12H2/t14-/m1/s1
InChIKeyDFPIBMCHPZDWSJ-CQSZACIVSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-phenylmethoxynonadecan-1-ol
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4-phenylmethoxyhex-5-en-1-ol
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(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
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(3R)-1-phenylmethoxyhept-6-en-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylmethoxyhept-6-en-1-ol?
The IUPAC name of (3R)-3-phenylmethoxyhept-6-en-1-ol (CID 70676356) is (3R)-3-phenylmethoxyhept-6-en-1-ol.
What is the SMILES notation for (3R)-3-phenylmethoxyhept-6-en-1-ol?
The canonical SMILES for (3R)-3-phenylmethoxyhept-6-en-1-ol is C=CCC[C@H](CCO)OCc1ccccc1.
What is the InChIKey of (3R)-3-phenylmethoxyhept-6-en-1-ol?
The InChIKey is DFPIBMCHPZDWSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-9-14(10-11-15)16-12-13-7-5-4-6-8-13/h2,4-8,14-15H,1,3,9-12H2/t14-/m1/s1.
What are the key properties of (3R)-3-phenylmethoxyhept-6-en-1-ol?
(3R)-3-phenylmethoxyhept-6-en-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylmethoxyhept-6-en-1-ol is sourced from PubChem (CID 70676356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).