[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol

C16H22O4 — CID 79894680

IUPAC[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
SMILESOCc1cccc(OC2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C16H22O4/c17-12-13-2-1-3-14(10-13)20-15-4-7-19-16(11-15)5-8-18-9-6-16/h1-3,10,15,17H,4-9,11-12H2
InChIKeyYFTPUFAPCHCXES-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.29
Rot. Bonds3

About [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol

[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol (PubChem CID 79894680) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
PubChem CID79894680
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
SMILESOCc1cccc(OC2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C16H22O4/c17-12-13-2-1-3-14(10-13)20-15-4-7-19-16(11-15)5-8-18-9-6-16/h1-3,10,15,17H,4-9,11-12H2
InChIKeyYFTPUFAPCHCXES-UHFFFAOYSA-N
XLogP2.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluorophenyl]methanol
CID 107690992
3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)benzonitrile
CID 79905653
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
(3-cyclopropyloxyphenyl)methanol
CID 57336629
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
9-[3-(chloromethyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79894617
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398

Frequently Asked Questions

What is the IUPAC name of [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol?
The IUPAC name of [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol (CID 79894680) is [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol.
What is the SMILES notation for [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol?
The canonical SMILES for [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol is OCc1cccc(OC2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol?
The InChIKey is YFTPUFAPCHCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c17-12-13-2-1-3-14(10-13)20-15-4-7-19-16(11-15)5-8-18-9-6-16/h1-3,10,15,17H,4-9,11-12H2.
What are the key properties of [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol?
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol has a molecular weight of 278.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol is sourced from PubChem (CID 79894680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).