(E,2R)-4-anthracen-9-ylbut-3-en-2-ol

C18H16O — CID 102394494

IUPAC(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
SMILESC[C@@H](O)/C=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H16O/c1-13(19)10-11-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18/h2-13,19H,1H3/b11-10+/t13-/m1/s1
InChIKeyPDWCAHQUIIPBQG-OCHBPSSRSA-N
MW248.33 g/mol
LogP4.39
Rot. Bonds2

About (E,2R)-4-anthracen-9-ylbut-3-en-2-ol

(E,2R)-4-anthracen-9-ylbut-3-en-2-ol (PubChem CID 102394494) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is (E,2R)-4-anthracen-9-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
PubChem CID102394494
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name(E,2R)-4-anthracen-9-ylbut-3-en-2-ol
SMILESC[C@@H](O)/C=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H16O/c1-13(19)10-11-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18/h2-13,19H,1H3/b11-10+/t13-/m1/s1
InChIKeyPDWCAHQUIIPBQG-OCHBPSSRSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
1-anthracen-9-ylpropan-2-ol
CID 19889136
9-(2-methylprop-1-enyl)anthracene
CID 59708728
9-pent-1-enylanthracene
CID 173045692
(3E,5E)-6-anthracen-9-ylhexa-3,5-dien-2-one
CID 15507546
(E)-1,3-di(anthracen-9-yl)prop-2-en-1-one
CID 10201508
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
CID 102288508
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
CID 101210227

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-anthracen-9-ylbut-3-en-2-ol?
The IUPAC name of (E,2R)-4-anthracen-9-ylbut-3-en-2-ol (CID 102394494) is (E,2R)-4-anthracen-9-ylbut-3-en-2-ol.
What is the SMILES notation for (E,2R)-4-anthracen-9-ylbut-3-en-2-ol?
The canonical SMILES for (E,2R)-4-anthracen-9-ylbut-3-en-2-ol is C[C@@H](O)/C=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of (E,2R)-4-anthracen-9-ylbut-3-en-2-ol?
The InChIKey is PDWCAHQUIIPBQG-OCHBPSSRSA-N. The full InChI is InChI=1S/C18H16O/c1-13(19)10-11-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18/h2-13,19H,1H3/b11-10+/t13-/m1/s1.
What are the key properties of (E,2R)-4-anthracen-9-ylbut-3-en-2-ol?
(E,2R)-4-anthracen-9-ylbut-3-en-2-ol has a molecular weight of 248.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-anthracen-9-ylbut-3-en-2-ol is sourced from PubChem (CID 102394494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).