(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol

C14H20O2 — CID 66827710

IUPAC(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
SMILESC/C=C\[C@@H](O)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-14(15)12(2)10-16-11-13-8-5-4-6-9-13/h3-9,12,14-15H,10-11H2,1-2H3/b7-3-/t12-,14+/m0/s1
InChIKeyMNOOPZXXRHAHBR-DJAXHYAWSA-N
MW220.31 g/mol
LogP2.78
Rot. Bonds6

About (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol

(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol (PubChem CID 66827710) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol.

Molecular Properties

Compound Name(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
PubChem CID66827710
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
SMILESC/C=C\[C@@H](O)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-14(15)12(2)10-16-11-13-8-5-4-6-9-13/h3-9,12,14-15H,10-11H2,1-2H3/b7-3-/t12-,14+/m0/s1
InChIKeyMNOOPZXXRHAHBR-DJAXHYAWSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.78
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

6-methyl-7-phenylmethoxyhept-2-en-4-ol
CID 57213229
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(E,4R,5S)-5,6-dimethyl-6-phenylmethoxyhept-2-en-4-ol
CID 10014921
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
2-phenylmethoxyethane-1,1-diol
CID 59866645
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147

Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol?
The IUPAC name of (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol (CID 66827710) is (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol.
What is the SMILES notation for (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol?
The canonical SMILES for (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol is C/C=C\[C@@H](O)[C@@H](C)COCc1ccccc1.
What is the InChIKey of (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol?
The InChIKey is MNOOPZXXRHAHBR-DJAXHYAWSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-14(15)12(2)10-16-11-13-8-5-4-6-9-13/h3-9,12,14-15H,10-11H2,1-2H3/b7-3-/t12-,14+/m0/s1.
What are the key properties of (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol?
(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol has a molecular weight of 220.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol is sourced from PubChem (CID 66827710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).