O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine

C16H23NO2 — CID 101488296

IUPACO-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine
SMILESCC(=C=CC(C)C)[C@@H](COCc1ccccc1)ON
InChIInChI=1S/C16H23NO2/c1-13(2)9-10-14(3)16(19-17)12-18-11-15-7-5-4-6-8-15/h4-9,13,16H,11-12,17H2,1-3H3/t10?,16-/m1/s1
InChIKeyZVQJYUJGTCSVRX-YRQZNCJOSA-N
MW261.37 g/mol
LogP3.22
Rot. Bonds7

About O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine

O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine (PubChem CID 101488296) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine
PubChem CID101488296
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameO-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine
SMILESCC(=C=CC(C)C)[C@@H](COCc1ccccc1)ON
InChIInChI=1S/C16H23NO2/c1-13(2)9-10-14(3)16(19-17)12-18-11-15-7-5-4-6-8-15/h4-9,13,16H,11-12,17H2,1-3H3/t10?,16-/m1/s1
InChIKeyZVQJYUJGTCSVRX-YRQZNCJOSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]-4-methylbenzenesulfonamide
CID 101360454
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
CID 131162694
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
CID 11253675

Frequently Asked Questions

What is the IUPAC name of O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine?
The IUPAC name of O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine (CID 101488296) is O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine?
The canonical SMILES for O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine is CC(=C=CC(C)C)[C@@H](COCc1ccccc1)ON.
What is the InChIKey of O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine?
The InChIKey is ZVQJYUJGTCSVRX-YRQZNCJOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)9-10-14(3)16(19-17)12-18-11-15-7-5-4-6-8-15/h4-9,13,16H,11-12,17H2,1-3H3/t10?,16-/m1/s1.
What are the key properties of O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine?
O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine has a molecular weight of 261.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2S)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]hydroxylamine is sourced from PubChem (CID 101488296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).