2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol

C21H22O3 — CID 70030881

IUPAC2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1C(Cc1ccccc1)C1=COCO1
InChIInChI=1S/C21H22O3/c22-21-17-9-5-4-8-16(17)10-11-18(21)19(20-13-23-14-24-20)12-15-6-2-1-3-7-15/h1-9,13,18-19,21-22H,10-12,14H2
InChIKeyCWUCSTOOCUKJTL-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.99
Rot. Bonds4

About 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol

2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 70030881) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID70030881
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1C(Cc1ccccc1)C1=COCO1
InChIInChI=1S/C21H22O3/c22-21-17-9-5-4-8-16(17)10-11-18(21)19(20-13-23-14-24-20)12-15-6-2-1-3-7-15/h1-9,13,18-19,21-22H,10-12,14H2
InChIKeyCWUCSTOOCUKJTL-UHFFFAOYSA-N
XLogP3.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 70030881) is 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccccc2CCC1C(Cc1ccccc1)C1=COCO1.
What is the InChIKey of 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is CWUCSTOOCUKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c22-21-17-9-5-4-8-16(17)10-11-18(21)19(20-13-23-14-24-20)12-15-6-2-1-3-7-15/h1-9,13,18-19,21-22H,10-12,14H2.
What are the key properties of 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 322.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 70030881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).