[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol

C14H14O — CID 142274342

IUPAC[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol
SMILESC=C/C=C\C1=CC(CO)c2ccccc21
InChIInChI=1S/C14H14O/c1-2-3-6-11-9-12(10-15)14-8-5-4-7-13(11)14/h2-9,12,15H,1,10H2/b6-3-
InChIKeyNAFKLDUGFHWANH-UTCJRWHESA-N
MW198.26 g/mol
LogP2.90
Rot. Bonds3

About [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol

[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol (PubChem CID 142274342) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol.

Molecular Properties

Compound Name[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol
PubChem CID142274342
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol
SMILESC=C/C=C\C1=CC(CO)c2ccccc21
InChIInChI=1S/C14H14O/c1-2-3-6-11-9-12(10-15)14-8-5-4-7-13(11)14/h2-9,12,15H,1,10H2/b6-3-
InChIKeyNAFKLDUGFHWANH-UTCJRWHESA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dienyl-2-phenylbenzene
CID 54164854
[3-(2,6-dimethoxyphenyl)-1H-inden-1-yl]methanol
CID 132518631
[4-[[3-[(1,3-dioxoinden-2-ylidene)methyl]-1H-inden-1-yl]methyl]phenyl]azanide
CID 143976208
2-[[3-[(4-aminophenyl)methyl]-3H-inden-1-yl]methylidene]indene-1,3-dione
CID 143976209
9-(3-prop-2-enyl-3H-inden-1-yl)-9H-fluorene
CID 91048021
9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 15899658
tert-butyl 3-formyl-1H-indene-1-carboxylate
CID 82254397
(4aS,10aS)-2,3-bis[(1Z)-buta-1,3-dienyl]-10,10a-dihydro-4aH-phenoxazine
CID 154946644
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
2-[(1Z)-buta-1,3-dienyl]-3-methyl-N-phenylinden-1-imine
CID 143038959

Frequently Asked Questions

What is the IUPAC name of [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol?
The IUPAC name of [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol (CID 142274342) is [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol.
What is the SMILES notation for [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol?
The canonical SMILES for [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol is C=C/C=C\C1=CC(CO)c2ccccc21.
What is the InChIKey of [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol?
The InChIKey is NAFKLDUGFHWANH-UTCJRWHESA-N. The full InChI is InChI=1S/C14H14O/c1-2-3-6-11-9-12(10-15)14-8-5-4-7-13(11)14/h2-9,12,15H,1,10H2/b6-3-.
What are the key properties of [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol?
[3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol has a molecular weight of 198.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1Z)-buta-1,3-dienyl]-1H-inden-1-yl]methanol is sourced from PubChem (CID 142274342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).