1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol

C18H22O2 — CID 21280547

IUPAC1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol
SMILESCCCCCC(O)c1cccc(/C=C/c2ccco2)c1
InChIInChI=1S/C18H22O2/c1-2-3-4-10-18(19)16-8-5-7-15(14-16)11-12-17-9-6-13-20-17/h5-9,11-14,18-19H,2-4,10H2,1H3/b12-11+
InChIKeyPCXQSEKYUFBWRJ-VAWYXSNFSA-N
MW270.37 g/mol
LogP5.06
Rot. Bonds7

About 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol

1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol (PubChem CID 21280547) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol
PubChem CID21280547
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol
SMILESCCCCCC(O)c1cccc(/C=C/c2ccco2)c1
InChIInChI=1S/C18H22O2/c1-2-3-4-10-18(19)16-8-5-7-15(14-16)11-12-17-9-6-13-20-17/h5-9,11-14,18-19H,2-4,10H2,1H3/b12-11+
InChIKeyPCXQSEKYUFBWRJ-VAWYXSNFSA-N
XLogP5.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol
CID 54182673
1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol
CID 173326624
6-[3-(1-hydroxyhexyl)phenyl]-2-methylhex-5-enoic acid
CID 67713205
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-(furan-2-yl)decan-1-ol
CID 11085452
2-tridec-1-enylfuran
CID 76580057
(1R)-1-phenyloctan-1-ol
CID 12794259
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan
CID 10646033
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
CID 100992434
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol?
The IUPAC name of 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol (CID 21280547) is 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol.
What is the SMILES notation for 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol?
The canonical SMILES for 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol is CCCCCC(O)c1cccc(/C=C/c2ccco2)c1.
What is the InChIKey of 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol?
The InChIKey is PCXQSEKYUFBWRJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-4-10-18(19)16-8-5-7-15(14-16)11-12-17-9-6-13-20-17/h5-9,11-14,18-19H,2-4,10H2,1H3/b12-11+.
What are the key properties of 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol?
1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-2-(furan-2-yl)ethenyl]phenyl]hexan-1-ol is sourced from PubChem (CID 21280547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).