(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde

C13H14O2 — CID 135041807

IUPAC(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde
SMILESO=C/C1=C/c2ccccc2CC[C@@H](O)C1
InChIInChI=1S/C13H14O2/c14-9-10-7-12-4-2-1-3-11(12)5-6-13(15)8-10/h1-4,7,9,13,15H,5-6,8H2/b10-7+/t13-/m1/s1
InChIKeyUKLASHIOUNWUKJ-UTSBKAFOSA-N
MW202.25 g/mol
LogP1.97
Rot. Bonds1

About (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde

(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde (PubChem CID 135041807) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde.

Molecular Properties

Compound Name(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde
PubChem CID135041807
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde
SMILESO=C/C1=C/c2ccccc2CC[C@@H](O)C1
InChIInChI=1S/C13H14O2/c14-9-10-7-12-4-2-1-3-11(12)5-6-13(15)8-10/h1-4,7,9,13,15H,5-6,8H2/b10-7+/t13-/m1/s1
InChIKeyUKLASHIOUNWUKJ-UTSBKAFOSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydronaphthalene-2-carbaldehyde;hydron
CID 174414426
7H-benzo[7]annulene-6,8-dicarbaldehyde
CID 14195628
7-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 177245462
5,6,8,9,10,11-hexahydrobenzo[a]anthracen-10-ol
CID 71328168
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-7-ol
CID 135280990
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 68749271
3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one
CID 73094979
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
(1R,5S)-3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octane-8-thione
CID 11076390
1,2,3,4-tetrahydronaphthalen-2-yl formate
CID 88796970
(11E,14E)-tricyclo[8.5.1.03,8]hexadeca-1,3,5,7,9,11,14-heptaene-12,14-dicarbaldehyde
CID 5388190

Frequently Asked Questions

What is the IUPAC name of (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde?
The IUPAC name of (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde (CID 135041807) is (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde.
What is the SMILES notation for (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde?
The canonical SMILES for (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde is O=C/C1=C/c2ccccc2CC[C@@H](O)C1.
What is the InChIKey of (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde?
The InChIKey is UKLASHIOUNWUKJ-UTSBKAFOSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-10-7-12-4-2-1-3-11(12)5-6-13(15)8-10/h1-4,7,9,13,15H,5-6,8H2/b10-7+/t13-/m1/s1.
What are the key properties of (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde?
(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde is sourced from PubChem (CID 135041807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).