1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol

C10H16O3 — CID 163631919

IUPAC1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
SMILESCC(O)COC1=CCC(CO)C=C1
InChIInChI=1S/C10H16O3/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2,4-5,8-9,11-12H,3,6-7H2,1H3
InChIKeyHWVTZIQWTDYMLM-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.84
Rot. Bonds4

About 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol

1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol (PubChem CID 163631919) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
PubChem CID163631919
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
SMILESCC(O)COC1=CCC(CO)C=C1
InChIInChI=1S/C10H16O3/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2,4-5,8-9,11-12H,3,6-7H2,1H3
InChIKeyHWVTZIQWTDYMLM-UHFFFAOYSA-N
XLogP0.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[4-[2-(dimethylamino)ethyl]cyclohexa-1,5-dien-1-yl]oxy-2-hydroxypropanoate
CID 141088009
4-(hydroxymethyl)cyclohexa-1,5-diene-1-carbaldehyde
CID 154546516
3-(4-ethoxycyclohexa-2,4-dien-1-yl)propanal
CID 91547732
2-[4-[(4-chlorophenyl)methyl]cyclohexa-1,5-dien-1-yl]oxyethanol
CID 163584107
[4-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]oxybenzene
CID 130196435
2-[4-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-yl]oxyethanol
CID 173470509
tert-butyl 4-[[2-hydroxy-3-[4-(2-methoxyethyl)cyclohexa-1,5-dien-1-yl]oxypropyl]amino]piperidine-1-carboxylate
CID 143275693
1-[5-(2,2-difluoropentoxy)-2-methylcyclohepta-3,5-dien-1-yl]ethanol
CID 91431007
2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 142950049
methyl N-[1-[4-[hydroxy(methoxy)phosphoryl]oxycyclohexa-2,4-dien-1-yl]-4,4-dimethyl-3-oxopentan-2-yl]carbamate
CID 91302183
5-[[4-(2,2-dimethylpropyl)cyclohexa-1,5-dien-1-yl]oxymethyl]-2,3-bis(ethenyl)thiophene
CID 142267600
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol (CID 163631919) is 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol is CC(O)COC1=CCC(CO)C=C1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol?
The InChIKey is HWVTZIQWTDYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2,4-5,8-9,11-12H,3,6-7H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol?
1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol has a molecular weight of 184.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol is sourced from PubChem (CID 163631919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).