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

C14H20O2 — CID 59371366

IUPAC(3R)-1-phenylmethoxyhept-6-en-3-ol
SMILESC=CCC[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-9-14(15)10-11-16-12-13-7-5-4-6-8-13/h2,4-8,14-15H,1,3,9-12H2/t14-/m1/s1
InChIKeyXHZRULGSDATIGG-CQSZACIVSA-N
MW220.31 g/mol
LogP2.92
Rot. Bonds8

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

(3R)-1-phenylmethoxyhept-6-en-3-ol (PubChem CID 59371366) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3R)-1-phenylmethoxyhept-6-en-3-ol.

Molecular Properties

Compound Name(3R)-1-phenylmethoxyhept-6-en-3-ol
PubChem CID59371366
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3R)-1-phenylmethoxyhept-6-en-3-ol
SMILESC=CCC[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-9-14(15)10-11-16-12-13-7-5-4-6-8-13/h2,4-8,14-15H,1,3,9-12H2/t14-/m1/s1
InChIKeyXHZRULGSDATIGG-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140

Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenylmethoxyhept-6-en-3-ol?
The IUPAC name of (3R)-1-phenylmethoxyhept-6-en-3-ol (CID 59371366) is (3R)-1-phenylmethoxyhept-6-en-3-ol.
What is the SMILES notation for (3R)-1-phenylmethoxyhept-6-en-3-ol?
The canonical SMILES for (3R)-1-phenylmethoxyhept-6-en-3-ol is C=CCC[C@@H](O)CCOCc1ccccc1.
What is the InChIKey of (3R)-1-phenylmethoxyhept-6-en-3-ol?
The InChIKey is XHZRULGSDATIGG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-9-14(15)10-11-16-12-13-7-5-4-6-8-13/h2,4-8,14-15H,1,3,9-12H2/t14-/m1/s1.
What are the key properties of (3R)-1-phenylmethoxyhept-6-en-3-ol?
(3R)-1-phenylmethoxyhept-6-en-3-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)-1-phenylmethoxyhept-6-en-3-ol is sourced from PubChem (CID 59371366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).