1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol

C25H29NO3 — CID 143632802

IUPAC1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol
SMILESOC(CN1C=CC(OCc2ccccc2)=CC1O)c1ccc2c(c1)CCCCC2
InChIInChI=1S/C25H29NO3/c27-24(22-12-11-20-9-5-2-6-10-21(20)15-22)17-26-14-13-23(16-25(26)28)29-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,24-25,27-28H,2,5-6,9-10,17-18H2
InChIKeyDWLLHKHLWAQDGD-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.24
Rot. Bonds6

About 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol

1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol (PubChem CID 143632802) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol
PubChem CID143632802
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol
SMILESOC(CN1C=CC(OCc2ccccc2)=CC1O)c1ccc2c(c1)CCCCC2
InChIInChI=1S/C25H29NO3/c27-24(22-12-11-20-9-5-2-6-10-21(20)15-22)17-26-14-13-23(16-25(26)28)29-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,24-25,27-28H,2,5-6,9-10,17-18H2
InChIKeyDWLLHKHLWAQDGD-UHFFFAOYSA-N
XLogP4.24
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol?
The IUPAC name of 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol (CID 143632802) is 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol.
What is the SMILES notation for 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol?
The canonical SMILES for 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol is OC(CN1C=CC(OCc2ccccc2)=CC1O)c1ccc2c(c1)CCCCC2.
What is the InChIKey of 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol?
The InChIKey is DWLLHKHLWAQDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c27-24(22-12-11-20-9-5-2-6-10-21(20)15-22)17-26-14-13-23(16-25(26)28)29-18-19-7-3-1-4-8-19/h1,3-4,7-8,11-16,24-25,27-28H,2,5-6,9-10,17-18H2.
What are the key properties of 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol?
1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol has a molecular weight of 391.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol is sourced from PubChem (CID 143632802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).