3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde

C10H10O3 — CID 174658679

IUPAC3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESO=CC1c2ccccc2OCC1O
InChIInChI=1S/C10H10O3/c11-5-8-7-3-1-2-4-10(7)13-6-9(8)12/h1-5,8-9,12H,6H2
InChIKeyCRLLSMJEQZWVKV-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.72
Rot. Bonds1

About 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde

3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde (PubChem CID 174658679) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
PubChem CID174658679
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESO=CC1c2ccccc2OCC1O
InChIInChI=1S/C10H10O3/c11-5-8-7-3-1-2-4-10(7)13-6-9(8)12/h1-5,8-9,12H,6H2
InChIKeyCRLLSMJEQZWVKV-UHFFFAOYSA-N
XLogP0.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran-3-ol
CID 585896
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(3R,4S)-4-azido-3,4-dihydro-2H-chromen-3-ol
CID 167482973
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112
2,3-dihydro-1-benzofuran-3-ylboronic acid
CID 66877807
[(4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-phenylmethanone
CID 140603866
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446113

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The IUPAC name of 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde (CID 174658679) is 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde.
What is the SMILES notation for 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The canonical SMILES for 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde is O=CC1c2ccccc2OCC1O.
What is the InChIKey of 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The InChIKey is CRLLSMJEQZWVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-5-8-7-3-1-2-4-10(7)13-6-9(8)12/h1-5,8-9,12H,6H2.
What are the key properties of 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde is sourced from PubChem (CID 174658679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).