(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

C15H18O2 — CID 129404936

IUPAC(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C[C@@H](C1CCCCC1)O2
InChIInChI=1S/C15H18O2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h6-8,10,12,15H,1-5,9H2/t15-/m0/s1
InChIKeyHZGONLSLBGLMOA-HNNXBMFYSA-N
MW230.31 g/mol
LogP3.38
Rot. Bonds2

About (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 129404936) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID129404936
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C[C@@H](C1CCCCC1)O2
InChIInChI=1S/C15H18O2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h6-8,10,12,15H,1-5,9H2/t15-/m0/s1
InChIKeyHZGONLSLBGLMOA-HNNXBMFYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-formyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 125455814
(2S)-2-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129408805
(2S)-2-benzyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 129362542
cyclohexanamine;2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 23291702
2-cyclobutyl-6-methyl-2,3-dihydrochromen-4-one
CID 114673730
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
(4aS,9aS)-2,3,4,4a,9,9a-hexahydro-1H-xanthene
CID 101459378
9-oxatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-triene-5-carbaldehyde
CID 175703736
2-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 15917866
3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 2776388
3-chloro-4-cyclohexylsulfanylbenzaldehyde
CID 81159217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 129404936) is (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is O=Cc1ccc2c(c1)C[C@@H](C1CCCCC1)O2.
What is the InChIKey of (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is HZGONLSLBGLMOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18O2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h6-8,10,12,15H,1-5,9H2/t15-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
(2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 129404936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).