1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol

C18H27NO2 — CID 173326624

IUPAC1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1cccc(C=CCCCC=NO)c1
InChIInChI=1S/C18H27NO2/c1-2-3-6-13-18(20)17-12-9-11-16(15-17)10-7-4-5-8-14-19-21/h7,9-12,14-15,18,20-21H,2-6,8,13H2,1H3
InChIKeyBQZYPIKRCHEYSU-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.94
Rot. Bonds10

About 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol

1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol (PubChem CID 173326624) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol
PubChem CID173326624
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1cccc(C=CCCCC=NO)c1
InChIInChI=1S/C18H27NO2/c1-2-3-6-13-18(20)17-12-9-11-16(15-17)10-7-4-5-8-14-19-21/h7,9-12,14-15,18,20-21H,2-6,8,13H2,1H3
InChIKeyBQZYPIKRCHEYSU-UHFFFAOYSA-N
XLogP4.94
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[3-(1-hydroxyhexyl)phenyl]-2-methylhex-5-enoic acid
CID 67713205
(NE)-N-[(Z)-6-phenylhex-5-enylidene]hydroxylamine
CID 177427914
1-[3-[2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol
CID 54182673
1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol
CID 21280547
3-[(E)-hex-1-enyl]phenol
CID 121007177
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
6-chlorododec-1-enylbenzene
CID 150262306
3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
6-bromododec-1-enylbenzene
CID 158445223

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol?
The IUPAC name of 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol (CID 173326624) is 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol.
What is the SMILES notation for 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol?
The canonical SMILES for 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol is CCCCCC(O)c1cccc(C=CCCCC=NO)c1.
What is the InChIKey of 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol?
The InChIKey is BQZYPIKRCHEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-6-13-18(20)17-12-9-11-16(15-17)10-7-4-5-8-14-19-21/h7,9-12,14-15,18,20-21H,2-6,8,13H2,1H3.
What are the key properties of 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol?
1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol is sourced from PubChem (CID 173326624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).